2-(2-cyanoanilino)-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide

C21H19N5O — CID 109316079

IUPAC2-(2-cyanoanilino)-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide
SMILESCC(C)c1ccccc1NC(=O)c1ccnc(Nc2ccccc2C#N)n1
InChIInChI=1S/C21H19N5O/c1-14(2)16-8-4-6-10-18(16)24-20(27)19-11-12-23-21(26-19)25-17-9-5-3-7-15(17)13-22/h3-12,14H,1-2H3,(H,24,27)(H,23,25,26)
InChIKeyGJDGVZTVMFFSKJ-UHFFFAOYSA-N
MW357.42 g/mol
LogP4.47
Rot. Bonds5

About 2-(2-cyanoanilino)-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide

2-(2-cyanoanilino)-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide (PubChem CID 109316079) has the molecular formula C21H19N5O and a molecular weight of 357.42 g/mol. Its IUPAC name is 2-(2-cyanoanilino)-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(2-cyanoanilino)-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide
PubChem CID109316079
Molecular FormulaC21H19N5O
Molecular Weight357.42 g/mol
Exact Mass357.16
IUPAC Name2-(2-cyanoanilino)-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide
SMILESCC(C)c1ccccc1NC(=O)c1ccnc(Nc2ccccc2C#N)n1
InChIInChI=1S/C21H19N5O/c1-14(2)16-8-4-6-10-18(16)24-20(27)19-11-12-23-21(26-19)25-17-9-5-3-7-15(17)13-22/h3-12,14H,1-2H3,(H,24,27)(H,23,25,26)
InChIKeyGJDGVZTVMFFSKJ-UHFFFAOYSA-N
XLogP4.47
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-2-methylphenyl)-2-(2-cyanoanilino)pyrimidine-4-carboxamide
CID 109317101
2-(4-methylanilino)-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109314007
N-(4-acetamidophenyl)-2-(2-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109316027
2-(4-chloroanilino)-N-(2-cyanophenyl)pyrimidine-4-carboxamide
CID 109316972
N-(3-chloro-4-methylphenyl)-2-(2-cyanoanilino)pyrimidine-4-carboxamide
CID 109317314
N-(2-cyanophenyl)-2-(2,4-difluoroanilino)pyrimidine-4-carboxamide
CID 109318638
methyl 4-[[2-(2-propan-2-ylanilino)pyrimidine-4-carbonyl]amino]benzoate
CID 109316030
2-(2-cyanoanilino)-N-cyclopropylpyrimidine-4-carboxamide
CID 109295903
N-butyl-2-(2-cyanoanilino)pyrimidine-4-carboxamide
CID 109296685
N-(2-cyanophenyl)-2-(propylamino)pyrimidine-4-carboxamide
CID 109294912
N-(3-chloro-4-methoxyphenyl)-2-(2-cyanoanilino)pyrimidine-4-carboxamide
CID 109317442
N-(2-cyanophenyl)-2-(3,4-difluoroanilino)pyrimidine-4-carboxamide
CID 109318808

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanoanilino)-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(2-cyanoanilino)-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide (CID 109316079) is 2-(2-cyanoanilino)-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(2-cyanoanilino)-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(2-cyanoanilino)-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide is CC(C)c1ccccc1NC(=O)c1ccnc(Nc2ccccc2C#N)n1.
What is the InChIKey of 2-(2-cyanoanilino)-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide?
The InChIKey is GJDGVZTVMFFSKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O/c1-14(2)16-8-4-6-10-18(16)24-20(27)19-11-12-23-21(26-19)25-17-9-5-3-7-15(17)13-22/h3-12,14H,1-2H3,(H,24,27)(H,23,25,26).
What are the key properties of 2-(2-cyanoanilino)-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide?
2-(2-cyanoanilino)-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide has a molecular weight of 357.42 g/mol, XLogP of 4.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanoanilino)-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109316079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).