2-(2-cyanoanilino)-N-(2,4-dimethylphenyl)pyrimidine-5-carboxamide

C20H17N5O — CID 109266440

IUPAC2-(2-cyanoanilino)-N-(2,4-dimethylphenyl)pyrimidine-5-carboxamide
SMILESCc1ccc(NC(=O)c2cnc(Nc3ccccc3C#N)nc2)c(C)c1
InChIInChI=1S/C20H17N5O/c1-13-7-8-17(14(2)9-13)24-19(26)16-11-22-20(23-12-16)25-18-6-4-3-5-15(18)10-21/h3-9,11-12H,1-2H3,(H,24,26)(H,22,23,25)
InChIKeyMUVNFCSGZKAHGG-UHFFFAOYSA-N
MW343.39 g/mol
LogP3.96
Rot. Bonds4

About 2-(2-cyanoanilino)-N-(2,4-dimethylphenyl)pyrimidine-5-carboxamide

2-(2-cyanoanilino)-N-(2,4-dimethylphenyl)pyrimidine-5-carboxamide (PubChem CID 109266440) has the molecular formula C20H17N5O and a molecular weight of 343.39 g/mol. Its IUPAC name is 2-(2-cyanoanilino)-N-(2,4-dimethylphenyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(2-cyanoanilino)-N-(2,4-dimethylphenyl)pyrimidine-5-carboxamide
PubChem CID109266440
Molecular FormulaC20H17N5O
Molecular Weight343.39 g/mol
Exact Mass343.14
IUPAC Name2-(2-cyanoanilino)-N-(2,4-dimethylphenyl)pyrimidine-5-carboxamide
SMILESCc1ccc(NC(=O)c2cnc(Nc3ccccc3C#N)nc2)c(C)c1
InChIInChI=1S/C20H17N5O/c1-13-7-8-17(14(2)9-13)24-19(26)16-11-22-20(23-12-16)25-18-6-4-3-5-15(18)10-21/h3-9,11-12H,1-2H3,(H,24,26)(H,22,23,25)
InChIKeyMUVNFCSGZKAHGG-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

N-(4-chloro-2-methylphenyl)-2-(2-cyanoanilino)pyrimidine-5-carboxamide
CID 109269101
N-(2,4-dimethylphenyl)-2-(2-fluoroanilino)pyrimidine-5-carboxamide
CID 109266385
5-(2-cyanoanilino)-N-(2,4-dimethylphenyl)pyridine-3-carboxamide
CID 109242712
2-(3-cyanoanilino)-N-(2,4-dimethylphenyl)pyrimidine-5-carboxamide
CID 109266441
2-(2,6-dimethylanilino)-N-(2,4-dimethylphenyl)pyrimidine-5-carboxamide
CID 109266373
2-(2-tert-butylanilino)-N-(2-cyanophenyl)pyrimidine-5-carboxamide
CID 109268251
6-(2-cyanoanilino)-N-(2,4-dimethylphenyl)pyridazine-3-carboxamide
CID 109127570
2-(2,6-difluoroanilino)-N-(2,4-dimethylphenyl)pyrimidine-5-carboxamide
CID 109266445
2-(2,4-dichloroanilino)-N-(2,4-dimethylphenyl)pyrimidine-5-carboxamide
CID 109266433
2-(2-cyanoanilino)-N-[2-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
CID 109270003
N-tert-butyl-2-(2-cyanoanilino)pyrimidine-5-carboxamide
CID 109262949
N-(4-chloro-2-methylphenyl)-2-(2-methylanilino)pyrimidine-5-carboxamide
CID 109265407

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanoanilino)-N-(2,4-dimethylphenyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(2-cyanoanilino)-N-(2,4-dimethylphenyl)pyrimidine-5-carboxamide (CID 109266440) is 2-(2-cyanoanilino)-N-(2,4-dimethylphenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(2-cyanoanilino)-N-(2,4-dimethylphenyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(2-cyanoanilino)-N-(2,4-dimethylphenyl)pyrimidine-5-carboxamide is Cc1ccc(NC(=O)c2cnc(Nc3ccccc3C#N)nc2)c(C)c1.
What is the InChIKey of 2-(2-cyanoanilino)-N-(2,4-dimethylphenyl)pyrimidine-5-carboxamide?
The InChIKey is MUVNFCSGZKAHGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O/c1-13-7-8-17(14(2)9-13)24-19(26)16-11-22-20(23-12-16)25-18-6-4-3-5-15(18)10-21/h3-9,11-12H,1-2H3,(H,24,26)(H,22,23,25).
What are the key properties of 2-(2-cyanoanilino)-N-(2,4-dimethylphenyl)pyrimidine-5-carboxamide?
2-(2-cyanoanilino)-N-(2,4-dimethylphenyl)pyrimidine-5-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 2-(2-cyanoanilino)-N-(2,4-dimethylphenyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109266440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).