Avanafil Impurity 90

CAT: 1299-RM-A164218-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-A164218-02Size:25 mg

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CAS Number

1799561-27-5

Synonyms

4- ((4-methoxybenzyl) amino) -2- (methylthio) pyrimidine-5-carboxylic acid

Molecular Formula

C14H15N3O3S

Molecular Weight

305.35

Target Alternative Name

Avanafil

Product Name Synonym

4- ((4-methoxybenzyl) amino) -2- (methylthio) pyrimidine-5-carboxylic acid

Chemical Information

4-((4-Methoxybenzyl)amino)-2-(methylthio)pyrimidine-5-carboxylic acid

CAS Number	1799561-27-5
PubChem CID	18374879
IUPAC Name	4-[(4-methoxyphenyl)methylamino]-2-methylsulfanylpyrimidine-5-carboxylic acid
Molecular Formula	C14H15N3O3S
Molecular Weight	305.35
XLogP	2.9
Topological Polar Surface Area	110
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	6
Heavy Atom Count	21
Formal Charge	0
Complexity	337

SMILES

COC1=CC=C(C=C1)CNC2=NC(=NC=C2C(=O)O)SC

InChI

InChI=1S/C14H15N3O3S/c1-20-10-5-3-9(4-6-10)7-15-12-11(13(18)19)8-16-14(17-12)21-2/h3-6,8H,7H2,1-2H3,(H,18,19)(H,15,16,17)

InChIKey

NWCNWZHURXELRF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1799561-27-5

CID: 18374879

Formula: C14H15N3O3S

MW: 305.35

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	305.35
XLogP3	2.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	6
Exact Mass	305.08341252
Monoisotopic Mass	305.08341252
Topological Polar Surface Area	110 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	337
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

Catalog	Name
RM-A164101-01	Avanafil Impurity A
RM-A164108-01	Avanafil Impurity H (R-Avanafil)
RM-A164183-01	Avanafil Impurity 57
RM-A164147-01	Avanafil Impurity 21
RM-A164149-01	Avanafil Impurity 23
RM-A164118-01	Avanafil Impurity R
RM-A164196-01	Avanafil Impurity 70
RM-A164197-01	Avanafil Impurity 71
RM-A164199-01	Avanafil Impurity 73
RM-A164201-01	Avanafil Impurity 74