6-(3-cyanoanilino)-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide

C20H17N5O — CID 112848468

IUPAC6-(3-cyanoanilino)-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
SMILESCc1ccc(NC(=O)c2cc(Nc3cccc(C#N)c3)nc(C)n2)cc1
InChIInChI=1S/C20H17N5O/c1-13-6-8-16(9-7-13)25-20(26)18-11-19(23-14(2)22-18)24-17-5-3-4-15(10-17)12-21/h3-11H,1-2H3,(H,25,26)(H,22,23,24)
InChIKeySILXGXRQVPLYQY-UHFFFAOYSA-N
MW343.39 g/mol
LogP3.96
Rot. Bonds4

About 6-(3-cyanoanilino)-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide

6-(3-cyanoanilino)-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide (PubChem CID 112848468) has the molecular formula C20H17N5O and a molecular weight of 343.39 g/mol. Its IUPAC name is 6-(3-cyanoanilino)-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(3-cyanoanilino)-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
PubChem CID112848468
Molecular FormulaC20H17N5O
Molecular Weight343.39 g/mol
Exact Mass343.14
IUPAC Name6-(3-cyanoanilino)-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
SMILESCc1ccc(NC(=O)c2cc(Nc3cccc(C#N)c3)nc(C)n2)cc1
InChIInChI=1S/C20H17N5O/c1-13-6-8-16(9-7-13)25-20(26)18-11-19(23-14(2)22-18)24-17-5-3-4-15(10-17)12-21/h3-11H,1-2H3,(H,25,26)(H,22,23,24)
InChIKeySILXGXRQVPLYQY-UHFFFAOYSA-N
XLogP3.96
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3-cyanoanilino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112849978
6-(3-cyanoanilino)-N-(4-ethylphenyl)-2-methylpyrimidine-4-carboxamide
CID 112849468
6-(3-acetamidoanilino)-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 112848448
N-(3-cyanophenyl)-2-methyl-6-(2-methylanilino)pyrimidine-4-carboxamide
CID 112848112
6-(2-cyanoanilino)-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 112848467
6-(3-cyanoanilino)-2-methyl-N-propylpyrimidine-4-carboxamide
CID 109360365
6-(4-chloro-2-methylanilino)-N-(3-cyanophenyl)-2-methylpyrimidine-4-carboxamide
CID 112850277
N-(4-cyanophenyl)-6-(3,4-difluoroanilino)-2-methylpyrimidine-4-carboxamide
CID 112851206
6-(4-cyanoanilino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112849979
N-(4-acetylphenyl)-6-(4-cyanoanilino)-2-methylpyrimidine-4-carboxamide
CID 112850845
N-(4-cyanophenyl)-6-(2,3-dimethylanilino)-2-methylpyrimidine-4-carboxamide
CID 112849269
6-(4-cyanoanilino)-N-[4-(dimethylamino)phenyl]-2-methylpyrimidine-4-carboxamide
CID 112850950

Frequently Asked Questions

What is the IUPAC name of 6-(3-cyanoanilino)-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(3-cyanoanilino)-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide (CID 112848468) is 6-(3-cyanoanilino)-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(3-cyanoanilino)-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(3-cyanoanilino)-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide is Cc1ccc(NC(=O)c2cc(Nc3cccc(C#N)c3)nc(C)n2)cc1.
What is the InChIKey of 6-(3-cyanoanilino)-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide?
The InChIKey is SILXGXRQVPLYQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O/c1-13-6-8-16(9-7-13)25-20(26)18-11-19(23-14(2)22-18)24-17-5-3-4-15(10-17)12-21/h3-11H,1-2H3,(H,25,26)(H,22,23,24).
What are the key properties of 6-(3-cyanoanilino)-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide?
6-(3-cyanoanilino)-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide has a molecular weight of 343.39 g/mol, XLogP of 3.96, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-cyanoanilino)-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 112848468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).