3-(2,6-diamino-5-cyanopyrimidin-4-yl)-N,N-dimethylbenzamide

C14H14N6O — CID 169398285

IUPAC3-(2,6-diamino-5-cyanopyrimidin-4-yl)-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(-c2nc(N)nc(N)c2C#N)c1
InChIInChI=1S/C14H14N6O/c1-20(2)13(21)9-5-3-4-8(6-9)11-10(7-15)12(16)19-14(17)18-11/h3-6H,1-2H3,(H4,16,17,18,19)
InChIKeyWNIXFAICYYVKHT-UHFFFAOYSA-N
MW282.31 g/mol
LogP0.88
Rot. Bonds2

About 3-(2,6-diamino-5-cyanopyrimidin-4-yl)-N,N-dimethylbenzamide

3-(2,6-diamino-5-cyanopyrimidin-4-yl)-N,N-dimethylbenzamide (PubChem CID 169398285) has the molecular formula C14H14N6O and a molecular weight of 282.31 g/mol. Its IUPAC name is 3-(2,6-diamino-5-cyanopyrimidin-4-yl)-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-(2,6-diamino-5-cyanopyrimidin-4-yl)-N,N-dimethylbenzamide
PubChem CID169398285
Molecular FormulaC14H14N6O
Molecular Weight282.31 g/mol
Exact Mass282.12
IUPAC Name3-(2,6-diamino-5-cyanopyrimidin-4-yl)-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(-c2nc(N)nc(N)c2C#N)c1
InChIInChI=1S/C14H14N6O/c1-20(2)13(21)9-5-3-4-8(6-9)11-10(7-15)12(16)19-14(17)18-11/h3-6H,1-2H3,(H4,16,17,18,19)
InChIKeyWNIXFAICYYVKHT-UHFFFAOYSA-N
XLogP0.88
TPSA121.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-[3-(2,6-diamino-5-cyanopyrimidin-4-yl)phenyl]benzoate
CID 169398246
2,4-diamino-6-[3-(difluoromethoxy)phenyl]pyrimidine-5-carbonitrile
CID 169396261
2,4-diamino-6-[3-(2-trimethylsilylethynyl)phenyl]pyrimidine-5-carbonitrile
CID 169398364
3-(2-amino-4-phenylpyrido[3,2-d]pyrimidin-6-yl)-N,N-dimethylbenzamide
CID 68913326
2,4-diamino-6-[3-(3-methyl-1,2-thiazol-5-yl)phenyl]pyrimidine-5-carbonitrile
CID 169397582
2,4-diamino-6-(3-methoxy-4-phenacyloxyphenyl)pyrimidine-5-carbonitrile
CID 169397653
6-[4-(2,6-diamino-5-cyanopyrimidin-4-yl)phenyl]pyridine-2-carboxylic acid
CID 169398391
2,4-diamino-6-[3-(2,4-difluorophenyl)phenyl]pyrimidine-5-carbonitrile
CID 169396904
[4-(2,6-diamino-5-cyanopyrimidin-4-yl)phenyl] acetate
CID 169396141
[4-(2,6-diamino-5-cyanopyrimidin-4-yl)-2-methoxyphenyl] acetate
CID 169396062
2,4-diamino-6-(3-bromo-4-hydroxyphenyl)pyrimidine-5-carbonitrile
CID 169396130
2-[N-(2-acetyloxyethyl)-4-(2,6-diamino-5-cyanopyrimidin-4-yl)anilino]ethyl acetate
CID 169398358

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-diamino-5-cyanopyrimidin-4-yl)-N,N-dimethylbenzamide?
The IUPAC name of 3-(2,6-diamino-5-cyanopyrimidin-4-yl)-N,N-dimethylbenzamide (CID 169398285) is 3-(2,6-diamino-5-cyanopyrimidin-4-yl)-N,N-dimethylbenzamide.
What is the SMILES notation for 3-(2,6-diamino-5-cyanopyrimidin-4-yl)-N,N-dimethylbenzamide?
The canonical SMILES for 3-(2,6-diamino-5-cyanopyrimidin-4-yl)-N,N-dimethylbenzamide is CN(C)C(=O)c1cccc(-c2nc(N)nc(N)c2C#N)c1.
What is the InChIKey of 3-(2,6-diamino-5-cyanopyrimidin-4-yl)-N,N-dimethylbenzamide?
The InChIKey is WNIXFAICYYVKHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6O/c1-20(2)13(21)9-5-3-4-8(6-9)11-10(7-15)12(16)19-14(17)18-11/h3-6H,1-2H3,(H4,16,17,18,19).
What are the key properties of 3-(2,6-diamino-5-cyanopyrimidin-4-yl)-N,N-dimethylbenzamide?
3-(2,6-diamino-5-cyanopyrimidin-4-yl)-N,N-dimethylbenzamide has a molecular weight of 282.31 g/mol, XLogP of 0.88, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-diamino-5-cyanopyrimidin-4-yl)-N,N-dimethylbenzamide is sourced from PubChem (CID 169398285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).