6-(2-cyanoanilino)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide

C16H17N5O — CID 109360758

IUPAC6-(2-cyanoanilino)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide
SMILESCc1nc(Nc2ccccc2C#N)cc(C(=O)NC(C)C)n1
InChIInChI=1S/C16H17N5O/c1-10(2)18-16(22)14-8-15(20-11(3)19-14)21-13-7-5-4-6-12(13)9-17/h4-8,10H,1-3H3,(H,18,22)(H,19,20,21)
InChIKeyPOSXWJMGLVNMFG-UHFFFAOYSA-N
MW295.35 g/mol
LogP2.54
Rot. Bonds4

About 6-(2-cyanoanilino)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide

6-(2-cyanoanilino)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide (PubChem CID 109360758) has the molecular formula C16H17N5O and a molecular weight of 295.35 g/mol. Its IUPAC name is 6-(2-cyanoanilino)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(2-cyanoanilino)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide
PubChem CID109360758
Molecular FormulaC16H17N5O
Molecular Weight295.35 g/mol
Exact Mass295.14
IUPAC Name6-(2-cyanoanilino)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide
SMILESCc1nc(Nc2ccccc2C#N)cc(C(=O)NC(C)C)n1
InChIInChI=1S/C16H17N5O/c1-10(2)18-16(22)14-8-15(20-11(3)19-14)21-13-7-5-4-6-12(13)9-17/h4-8,10H,1-3H3,(H,18,22)(H,19,20,21)
InChIKeyPOSXWJMGLVNMFG-UHFFFAOYSA-N
XLogP2.54
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2-fluoroanilino)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 109360683
2-methyl-N-propan-2-yl-6-(2-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109360676
6-(2-cyanoanilino)-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 112848467
6-(2-cyanoanilino)-N-(3,5-dimethylphenyl)-2-methylpyrimidine-4-carboxamide
CID 112849147
6-(2-cyanoanilino)-2-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 112849713
N-(3-acetamidophenyl)-6-(2-cyanoanilino)-2-methylpyrimidine-4-carboxamide
CID 112850860
6-(2-cyanoanilino)-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 109370485
6-(2-ethoxyanilino)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 109360701
N-(2-cyanophenyl)-6-(2,5-dimethylanilino)-2-methylpyrimidine-4-carboxamide
CID 112848947
N-(2-cyanophenyl)-2-methyl-6-[2-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
CID 112850765
N-(3-chloro-4-fluorophenyl)-6-(2-cyanoanilino)-2-methylpyrimidine-4-carboxamide
CID 112850360
N-(2-cyanophenyl)-2-methyl-6-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide
CID 112849682

Frequently Asked Questions

What is the IUPAC name of 6-(2-cyanoanilino)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide?
The IUPAC name of 6-(2-cyanoanilino)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide (CID 109360758) is 6-(2-cyanoanilino)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(2-cyanoanilino)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(2-cyanoanilino)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide is Cc1nc(Nc2ccccc2C#N)cc(C(=O)NC(C)C)n1.
What is the InChIKey of 6-(2-cyanoanilino)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide?
The InChIKey is POSXWJMGLVNMFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O/c1-10(2)18-16(22)14-8-15(20-11(3)19-14)21-13-7-5-4-6-12(13)9-17/h4-8,10H,1-3H3,(H,18,22)(H,19,20,21).
What are the key properties of 6-(2-cyanoanilino)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide?
6-(2-cyanoanilino)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide has a molecular weight of 295.35 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-cyanoanilino)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 109360758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).