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Formylaminopyrimidine

CAT: 0013-GTR19281234-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19281234-01Size:50 mg
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Description
Formylaminopyrimidine is an aminopyrimidine compound and one of the hydrolysis products of thiamine.
CAS Number
1886-34-6
Smiles
O=CNCC1=CN=C (N=C1N) C
Molecular Formula
C7H10N4O
Molecular Weight
166.18
Notes
For research use only.

Chemical Information

N-((4-Amino-2-methyl-5-pyrimidinyl)methyl)formamide

4-amino-5-formamidomethyl-2-methylpyrimidine is a member of the class of aminopyrimidine with the amino group at position 4 with additional methyl and formamidomethyl substituents at positions 2 and 5 respectively. It has a role as a bacterial xenobiotic metabolite. It is a member of formamides and an aminopyrimidine.

CAS Number1886-34-6
PubChem CID597195
IUPAC NameN-[(4-amino-2-methylpyrimidin-5-yl)methyl]formamide
Molecular FormulaC7H10N4O
Molecular Weight166.18
XLogP-0.1
Topological Polar Surface Area80.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count12
Formal Charge0
Complexity152
SMILES
CC1=NC=C(C(=N1)N)CNC=O
InChI
InChI=1S/C7H10N4O/c1-5-10-3-6(2-9-4-12)7(8)11-5/h3-4H,2H2,1H3,(H,9,12)(H2,8,10,11)
InChIKey
PVWNFAGYFUUDRC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-((4-Amino-2-methyl-5-pyrimidinyl)methyl)formamide
CAS: 1886-34-6
CID: 597195
Formula: C7H10N4O
MW: 166.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight166.18
XLogP3-0.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass166.08546096
Monoisotopic Mass166.08546096
Topological Polar Surface Area80.9 Ų
Heavy Atom Count12
Formal Charge0
Complexity152
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
AR-T03987-01Formylaminopyrimidine

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