2-cyano-N-[4-[(4,6-dimethylpyrimidin-2-yl)-methylamino]phenyl]acetamide

C16H17N5O — CID 168520666

IUPAC2-cyano-N-[4-[(4,6-dimethylpyrimidin-2-yl)-methylamino]phenyl]acetamide
SMILESCc1cc(C)nc(N(C)c2ccc(NC(=O)CC#N)cc2)n1
InChIInChI=1S/C16H17N5O/c1-11-10-12(2)19-16(18-11)21(3)14-6-4-13(5-7-14)20-15(22)8-9-17/h4-7,10H,8H2,1-3H3,(H,20,22)
InChIKeyWUFUGTUBKOLWRZ-UHFFFAOYSA-N
MW295.35 g/mol
LogP2.71
Rot. Bonds4

About 2-cyano-N-[4-[(4,6-dimethylpyrimidin-2-yl)-methylamino]phenyl]acetamide

2-cyano-N-[4-[(4,6-dimethylpyrimidin-2-yl)-methylamino]phenyl]acetamide (PubChem CID 168520666) has the molecular formula C16H17N5O and a molecular weight of 295.35 g/mol. Its IUPAC name is 2-cyano-N-[4-[(4,6-dimethylpyrimidin-2-yl)-methylamino]phenyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[4-[(4,6-dimethylpyrimidin-2-yl)-methylamino]phenyl]acetamide
PubChem CID168520666
Molecular FormulaC16H17N5O
Molecular Weight295.35 g/mol
Exact Mass295.14
IUPAC Name2-cyano-N-[4-[(4,6-dimethylpyrimidin-2-yl)-methylamino]phenyl]acetamide
SMILESCc1cc(C)nc(N(C)c2ccc(NC(=O)CC#N)cc2)n1
InChIInChI=1S/C16H17N5O/c1-11-10-12(2)19-16(18-11)21(3)14-6-4-13(5-7-14)20-15(22)8-9-17/h4-7,10H,8H2,1-3H3,(H,20,22)
InChIKeyWUFUGTUBKOLWRZ-UHFFFAOYSA-N
XLogP2.71
TPSA81.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyano-N-[4-[(2-cyanoacetyl)amino]phenyl]acetamide
CID 5143928
4-[(4,6-dimethylpyrimidin-2-yl)-methylamino]benzoate
CID 6930992
N-[4-[(2-cyanoacetyl)amino]phenyl]-N-methylbenzamide
CID 168523080
N-[4-[bis(2-hydroxyethyl)amino]phenyl]-2-cyanoacetamide
CID 168520060
2-cyano-N-(3,4-dimethylphenyl)acetamide
CID 2345033
4-[(2-cyanoacetyl)amino]benzoic acid
CID 857628
4-[(2-cyanoacetyl)amino]-N-(3,5-dimethylphenyl)benzamide
CID 168521355
2-cyano-N-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]acetamide
CID 168523907
4-[(2-cyanoacetyl)amino]-N-methylbenzamide
CID 168524250
methyl 2-[4-[(2-cyanoacetyl)amino]phenyl]acetate
CID 83290938
2-cyano-N-(3-fluoro-4-methylphenyl)acetamide
CID 24693898
methyl N-cyano-N'-[4-[(4,6-dimethylpyrimidin-2-yl)-methylamino]phenyl]carbamimidothioate
CID 169360949

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[4-[(4,6-dimethylpyrimidin-2-yl)-methylamino]phenyl]acetamide?
The IUPAC name of 2-cyano-N-[4-[(4,6-dimethylpyrimidin-2-yl)-methylamino]phenyl]acetamide (CID 168520666) is 2-cyano-N-[4-[(4,6-dimethylpyrimidin-2-yl)-methylamino]phenyl]acetamide.
What is the SMILES notation for 2-cyano-N-[4-[(4,6-dimethylpyrimidin-2-yl)-methylamino]phenyl]acetamide?
The canonical SMILES for 2-cyano-N-[4-[(4,6-dimethylpyrimidin-2-yl)-methylamino]phenyl]acetamide is Cc1cc(C)nc(N(C)c2ccc(NC(=O)CC#N)cc2)n1.
What is the InChIKey of 2-cyano-N-[4-[(4,6-dimethylpyrimidin-2-yl)-methylamino]phenyl]acetamide?
The InChIKey is WUFUGTUBKOLWRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O/c1-11-10-12(2)19-16(18-11)21(3)14-6-4-13(5-7-14)20-15(22)8-9-17/h4-7,10H,8H2,1-3H3,(H,20,22).
What are the key properties of 2-cyano-N-[4-[(4,6-dimethylpyrimidin-2-yl)-methylamino]phenyl]acetamide?
2-cyano-N-[4-[(4,6-dimethylpyrimidin-2-yl)-methylamino]phenyl]acetamide has a molecular weight of 295.35 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[4-[(4,6-dimethylpyrimidin-2-yl)-methylamino]phenyl]acetamide is sourced from PubChem (CID 168520666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).