N-(4-chloro-2-methylphenyl)-2-(2-cyanoanilino)pyrimidine-5-carboxamide

C19H14ClN5O — CID 109269101

IUPACN-(4-chloro-2-methylphenyl)-2-(2-cyanoanilino)pyrimidine-5-carboxamide
SMILESCc1cc(Cl)ccc1NC(=O)c1cnc(Nc2ccccc2C#N)nc1
InChIInChI=1S/C19H14ClN5O/c1-12-8-15(20)6-7-16(12)24-18(26)14-10-22-19(23-11-14)25-17-5-3-2-4-13(17)9-21/h2-8,10-11H,1H3,(H,24,26)(H,22,23,25)
InChIKeyZGZAJMUELFSSGM-UHFFFAOYSA-N
MW363.81 g/mol
LogP4.31
Rot. Bonds4

About N-(4-chloro-2-methylphenyl)-2-(2-cyanoanilino)pyrimidine-5-carboxamide

N-(4-chloro-2-methylphenyl)-2-(2-cyanoanilino)pyrimidine-5-carboxamide (PubChem CID 109269101) has the molecular formula C19H14ClN5O and a molecular weight of 363.81 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-2-(2-cyanoanilino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-2-(2-cyanoanilino)pyrimidine-5-carboxamide
PubChem CID109269101
Molecular FormulaC19H14ClN5O
Molecular Weight363.81 g/mol
Exact Mass363.09
IUPAC NameN-(4-chloro-2-methylphenyl)-2-(2-cyanoanilino)pyrimidine-5-carboxamide
SMILESCc1cc(Cl)ccc1NC(=O)c1cnc(Nc2ccccc2C#N)nc1
InChIInChI=1S/C19H14ClN5O/c1-12-8-15(20)6-7-16(12)24-18(26)14-10-22-19(23-11-14)25-17-5-3-2-4-13(17)9-21/h2-8,10-11H,1H3,(H,24,26)(H,22,23,25)
InChIKeyZGZAJMUELFSSGM-UHFFFAOYSA-N
XLogP4.31
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.81
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-cyanoanilino)-N-(2,4-dimethylphenyl)pyrimidine-5-carboxamide
CID 109266440
N-(4-chloro-2-methylphenyl)-2-(2-methylanilino)pyrimidine-5-carboxamide
CID 109265407
N-(4-chloro-2-methylphenyl)-2-(2-fluoroanilino)pyrimidine-5-carboxamide
CID 109268395
N-(4-chloro-2-methylphenyl)-2-(2,3-dimethylanilino)pyrimidine-5-carboxamide
CID 109267225
N-(4-chloro-2-methylphenyl)-4-(2-cyanoanilino)pyridine-2-carboxamide
CID 109221213
N-(4-chloro-2-methylphenyl)-2-(2-propan-2-yloxyanilino)pyrimidine-5-carboxamide
CID 109269082
2-(4-chloro-2-methylanilino)-N-(2-cyanophenyl)-6-methylpyrimidine-4-carboxamide
CID 109337276
2-(2,4-dichloroanilino)-N-(2,4-dimethylphenyl)pyrimidine-5-carboxamide
CID 109266433
2-(2-chloroanilino)-N-(5-chloro-2-methylphenyl)pyrimidine-5-carboxamide
CID 109268652
2-(2-tert-butylanilino)-N-(2-cyanophenyl)pyrimidine-5-carboxamide
CID 109268251
N-(4-chloro-2-methylphenyl)-2-[(2-methylphenyl)methylamino]pyrimidine-5-carboxamide
CID 109255747
2-(tert-butylamino)-N-(4-chloro-2-methylphenyl)pyrimidine-5-carboxamide
CID 109263001

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-2-(2-cyanoanilino)pyrimidine-5-carboxamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-2-(2-cyanoanilino)pyrimidine-5-carboxamide (CID 109269101) is N-(4-chloro-2-methylphenyl)-2-(2-cyanoanilino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-2-(2-cyanoanilino)pyrimidine-5-carboxamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-2-(2-cyanoanilino)pyrimidine-5-carboxamide is Cc1cc(Cl)ccc1NC(=O)c1cnc(Nc2ccccc2C#N)nc1.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-2-(2-cyanoanilino)pyrimidine-5-carboxamide?
The InChIKey is ZGZAJMUELFSSGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN5O/c1-12-8-15(20)6-7-16(12)24-18(26)14-10-22-19(23-11-14)25-17-5-3-2-4-13(17)9-21/h2-8,10-11H,1H3,(H,24,26)(H,22,23,25).
What are the key properties of N-(4-chloro-2-methylphenyl)-2-(2-cyanoanilino)pyrimidine-5-carboxamide?
N-(4-chloro-2-methylphenyl)-2-(2-cyanoanilino)pyrimidine-5-carboxamide has a molecular weight of 363.81 g/mol, XLogP of 4.31, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-2-(2-cyanoanilino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109269101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).