N-(2-cyanophenyl)-2-(2-methylpropylamino)pyrimidine-5-carboxamide

C16H17N5O — CID 109248810

IUPACN-(2-cyanophenyl)-2-(2-methylpropylamino)pyrimidine-5-carboxamide
SMILESCC(C)CNc1ncc(C(=O)Nc2ccccc2C#N)cn1
InChIInChI=1S/C16H17N5O/c1-11(2)8-18-16-19-9-13(10-20-16)15(22)21-14-6-4-3-5-12(14)7-17/h3-6,9-11H,8H2,1-2H3,(H,21,22)(H,18,19,20)
InChIKeyCTWHYJZFIKUVDK-UHFFFAOYSA-N
MW295.35 g/mol
LogP2.67
Rot. Bonds5

About N-(2-cyanophenyl)-2-(2-methylpropylamino)pyrimidine-5-carboxamide

N-(2-cyanophenyl)-2-(2-methylpropylamino)pyrimidine-5-carboxamide (PubChem CID 109248810) has the molecular formula C16H17N5O and a molecular weight of 295.35 g/mol. Its IUPAC name is N-(2-cyanophenyl)-2-(2-methylpropylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-2-(2-methylpropylamino)pyrimidine-5-carboxamide
PubChem CID109248810
Molecular FormulaC16H17N5O
Molecular Weight295.35 g/mol
Exact Mass295.14
IUPAC NameN-(2-cyanophenyl)-2-(2-methylpropylamino)pyrimidine-5-carboxamide
SMILESCC(C)CNc1ncc(C(=O)Nc2ccccc2C#N)cn1
InChIInChI=1S/C16H17N5O/c1-11(2)8-18-16-19-9-13(10-20-16)15(22)21-14-6-4-3-5-12(14)7-17/h3-6,9-11H,8H2,1-2H3,(H,21,22)(H,18,19,20)
InChIKeyCTWHYJZFIKUVDK-UHFFFAOYSA-N
XLogP2.67
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-cyanophenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259614
N-(2-cyanophenyl)-2-(4-propan-2-ylanilino)pyrimidine-5-carboxamide
CID 109267994
2-(2-tert-butylanilino)-N-(2-cyanophenyl)pyrimidine-5-carboxamide
CID 109268251
2-(4-tert-butylanilino)-N-(2-cyanophenyl)pyrimidine-5-carboxamide
CID 109268313
N-(2-cyanophenyl)-2-(2-ethoxyanilino)pyrimidine-5-carboxamide
CID 109269736
2-(2-methylpropylamino)-N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide
CID 109248729
N-tert-butyl-2-(2-cyanoanilino)pyrimidine-5-carboxamide
CID 109262949
2-(2-cyanoanilino)-N-(2,4-dimethylphenyl)pyrimidine-5-carboxamide
CID 109266440
methyl 3-[[5-[(2-cyanophenyl)carbamoyl]pyrimidin-2-yl]amino]benzoate
CID 109270235
N-(3,5-dimethylphenyl)-2-(2-methylpropylamino)pyrimidine-5-carboxamide
CID 109248721
2-(2-cyanoanilino)-N-[2-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
CID 109270003
ethyl 4-[[2-(2-cyanoanilino)pyrimidine-5-carbonyl]amino]benzoate
CID 109270511

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-2-(2-methylpropylamino)pyrimidine-5-carboxamide?
The IUPAC name of N-(2-cyanophenyl)-2-(2-methylpropylamino)pyrimidine-5-carboxamide (CID 109248810) is N-(2-cyanophenyl)-2-(2-methylpropylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(2-cyanophenyl)-2-(2-methylpropylamino)pyrimidine-5-carboxamide?
The canonical SMILES for N-(2-cyanophenyl)-2-(2-methylpropylamino)pyrimidine-5-carboxamide is CC(C)CNc1ncc(C(=O)Nc2ccccc2C#N)cn1.
What is the InChIKey of N-(2-cyanophenyl)-2-(2-methylpropylamino)pyrimidine-5-carboxamide?
The InChIKey is CTWHYJZFIKUVDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O/c1-11(2)8-18-16-19-9-13(10-20-16)15(22)21-14-6-4-3-5-12(14)7-17/h3-6,9-11H,8H2,1-2H3,(H,21,22)(H,18,19,20).
What are the key properties of N-(2-cyanophenyl)-2-(2-methylpropylamino)pyrimidine-5-carboxamide?
N-(2-cyanophenyl)-2-(2-methylpropylamino)pyrimidine-5-carboxamide has a molecular weight of 295.35 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-2-(2-methylpropylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109248810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).