4(3H)-Pyrimidinone

CAT: 0572-TRC-P997355-10GSize: 10 gDry Ice: NoHazardous: No

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CAT#:0572-TRC-P997355-10GSize:10 g

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CAS Number

4562-27-0

Synonyms

4(1H)-Pyrimidinone; 3H-Pyrimidin-4-one; 4(3H)-Pyrimidone; 4-Hydroxypyrimidine; 4-Oxopyrimidine; 4-Pyrimidinol; 4-Pyrimidinone; 4-Pyrimidone; Deaminoisocytosine; NSC 1575; NSC 157911;

Hazard Statement

No Data Available

Smiles

Oc1ccncn1

Molecular Formula

C4H4N2O

Molecular Weight

96.09

Shipping Conditions

Room Temperature

Storage Conditions

+20°C

Chemical Information

4-Hydroxypyrimidine

CAS Number	4562-27-0
PubChem CID	20695
IUPAC Name	1H-pyrimidin-6-one
Molecular Formula	C4H4N2O
Molecular Weight	96.09
XLogP	-1.4
Topological Polar Surface Area	41.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	7
Formal Charge	0
Complexity	137

SMILES

C1=CN=CNC1=O

InChI

InChI=1S/C4H4N2O/c7-4-1-2-5-3-6-4/h1-3H,(H,5,6,7)

InChIKey

DNCYBUMDUBHIJZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 4562-27-0

CID: 20695

Formula: C4H4N2O

MW: 96.09

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	96.09
XLogP3	-1.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	96.032362755
Monoisotopic Mass	96.032362755
Topological Polar Surface Area	41.5 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	137
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Related Products

Catalog	Name
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TRC-M220110-1G	6-Methyl-5-propyl-4(1H)-pyrimidinone
TRC-M220110-250MG	6-Methyl-5-propyl-4(1H)-pyrimidinone
TRC-M220110-500MG	6-Methyl-5-propyl-4(1H)-pyrimidinone
TRC-D479080-50G	4,6-Dimethyl-2(1H)-pyrimidinone Hydrochloride
TRC-D479080-25G	4,6-Dimethyl-2(1H)-pyrimidinone Hydrochloride
TRC-A609660-1G	6-Amino-5-formylamino-3H-pyrimidine-4-one
TRC-A609660-100MG	6-Amino-5-formylamino-3H-pyrimidine-4-one
TRC-P399718-50MG	2-Phenylquinazolin-4(3h)-one

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4(3H)-Pyrimidinone

Chemical Information

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