N-[2-(2,6-diamino-5-cyanopyrimidin-4-yl)-4,5-dimethylphenyl]acetamide

C15H16N6O — CID 169398282

IUPACN-[2-(2,6-diamino-5-cyanopyrimidin-4-yl)-4,5-dimethylphenyl]acetamide
SMILESCC(=O)Nc1cc(C)c(C)cc1-c1nc(N)nc(N)c1C#N
InChIInChI=1S/C15H16N6O/c1-7-4-10(12(5-8(7)2)19-9(3)22)13-11(6-16)14(17)21-15(18)20-13/h4-5H,1-3H3,(H,19,22)(H4,17,18,20,21)
InChIKeyDDEUZFSFYWYEDD-UHFFFAOYSA-N
MW296.33 g/mol
LogP1.75
Rot. Bonds2

About N-[2-(2,6-diamino-5-cyanopyrimidin-4-yl)-4,5-dimethylphenyl]acetamide

N-[2-(2,6-diamino-5-cyanopyrimidin-4-yl)-4,5-dimethylphenyl]acetamide (PubChem CID 169398282) has the molecular formula C15H16N6O and a molecular weight of 296.33 g/mol. Its IUPAC name is N-[2-(2,6-diamino-5-cyanopyrimidin-4-yl)-4,5-dimethylphenyl]acetamide.

Molecular Properties

Compound NameN-[2-(2,6-diamino-5-cyanopyrimidin-4-yl)-4,5-dimethylphenyl]acetamide
PubChem CID169398282
Molecular FormulaC15H16N6O
Molecular Weight296.33 g/mol
Exact Mass296.14
IUPAC NameN-[2-(2,6-diamino-5-cyanopyrimidin-4-yl)-4,5-dimethylphenyl]acetamide
SMILESCC(=O)Nc1cc(C)c(C)cc1-c1nc(N)nc(N)c1C#N
InChIInChI=1S/C15H16N6O/c1-7-4-10(12(5-8(7)2)19-9(3)22)13-11(6-16)14(17)21-15(18)20-13/h4-5H,1-3H3,(H,19,22)(H4,17,18,20,21)
InChIKeyDDEUZFSFYWYEDD-UHFFFAOYSA-N
XLogP1.75
TPSA130.71 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2,4-diamino-6-(4-bromo-2-methylphenyl)pyrimidine-5-carbonitrile
CID 169396212
2,4-diamino-6-(2-hydroxy-4-methyl-5-nitrophenyl)pyrimidine-5-carbonitrile
CID 169396938
2-(2,6-diamino-5-cyanopyrimidin-4-yl)-5-iodobenzoic acid
CID 169396965
2,4-diamino-6-(2,4-dihydroxyphenyl)pyrimidine-5-carbonitrile
CID 169395987
[4-(2,6-diamino-5-cyanopyrimidin-4-yl)-3-ethylphenyl]boronic acid
CID 169397262
[4-(2,6-diamino-5-cyanopyrimidin-4-yl)-2-methoxyphenyl] acetate
CID 169396062
2,4-diamino-6-(2-methyl-4-pyrrolidin-1-ylphenyl)pyrimidine-5-carbonitrile
CID 169396379
[3-(2,6-diamino-5-cyanopyrimidin-4-yl)-4-hydroxyphenyl]boronic acid
CID 169398910
2,4-diamino-6-(2-hydroxy-4-methoxyphenyl)pyrimidine-5-carbonitrile
CID 169395991
[4-(2,6-diamino-5-cyanopyrimidin-4-yl)phenyl] acetate
CID 169396141
2-[4-bromo-2-(2,6-diamino-5-cyanopyrimidin-4-yl)phenoxy]propanoic acid
CID 169397511
N-[2-(2,6-diamino-5-cyanopyrimidin-4-yl)phenyl]-4-methylbenzenesulfonamide
CID 169396963

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-diamino-5-cyanopyrimidin-4-yl)-4,5-dimethylphenyl]acetamide?
The IUPAC name of N-[2-(2,6-diamino-5-cyanopyrimidin-4-yl)-4,5-dimethylphenyl]acetamide (CID 169398282) is N-[2-(2,6-diamino-5-cyanopyrimidin-4-yl)-4,5-dimethylphenyl]acetamide.
What is the SMILES notation for N-[2-(2,6-diamino-5-cyanopyrimidin-4-yl)-4,5-dimethylphenyl]acetamide?
The canonical SMILES for N-[2-(2,6-diamino-5-cyanopyrimidin-4-yl)-4,5-dimethylphenyl]acetamide is CC(=O)Nc1cc(C)c(C)cc1-c1nc(N)nc(N)c1C#N.
What is the InChIKey of N-[2-(2,6-diamino-5-cyanopyrimidin-4-yl)-4,5-dimethylphenyl]acetamide?
The InChIKey is DDEUZFSFYWYEDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O/c1-7-4-10(12(5-8(7)2)19-9(3)22)13-11(6-16)14(17)21-15(18)20-13/h4-5H,1-3H3,(H,19,22)(H4,17,18,20,21).
What are the key properties of N-[2-(2,6-diamino-5-cyanopyrimidin-4-yl)-4,5-dimethylphenyl]acetamide?
N-[2-(2,6-diamino-5-cyanopyrimidin-4-yl)-4,5-dimethylphenyl]acetamide has a molecular weight of 296.33 g/mol, XLogP of 1.75, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-diamino-5-cyanopyrimidin-4-yl)-4,5-dimethylphenyl]acetamide is sourced from PubChem (CID 169398282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).