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

C19H17ClN4O — CID 109265407

IUPACN-(4-chloro-2-methylphenyl)-2-(2-methylanilino)pyrimidine-5-carboxamide
SMILESCc1cc(Cl)ccc1NC(=O)c1cnc(Nc2ccccc2C)nc1
InChIInChI=1S/C19H17ClN4O/c1-12-5-3-4-6-16(12)24-19-21-10-14(11-22-19)18(25)23-17-8-7-15(20)9-13(17)2/h3-11H,1-2H3,(H,23,25)(H,21,22,24)
InChIKeyHMZOJARJVHILLJ-UHFFFAOYSA-N
MW352.83 g/mol
LogP4.74
Rot. Bonds4

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

N-(4-chloro-2-methylphenyl)-2-(2-methylanilino)pyrimidine-5-carboxamide (PubChem CID 109265407) has the molecular formula C19H17ClN4O and a molecular weight of 352.83 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-2-(2-methylanilino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-2-(2-methylanilino)pyrimidine-5-carboxamide
PubChem CID109265407
Molecular FormulaC19H17ClN4O
Molecular Weight352.83 g/mol
Exact Mass352.11
IUPAC NameN-(4-chloro-2-methylphenyl)-2-(2-methylanilino)pyrimidine-5-carboxamide
SMILESCc1cc(Cl)ccc1NC(=O)c1cnc(Nc2ccccc2C)nc1
InChIInChI=1S/C19H17ClN4O/c1-12-5-3-4-6-16(12)24-19-21-10-14(11-22-19)18(25)23-17-8-7-15(20)9-13(17)2/h3-11H,1-2H3,(H,23,25)(H,21,22,24)
InChIKeyHMZOJARJVHILLJ-UHFFFAOYSA-N
XLogP4.74
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.83
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chloro-2-methylphenyl)-2-(2,3-dimethylanilino)pyrimidine-5-carboxamide
CID 109267225
N-(4-chloro-2-methylphenyl)-2-(2-fluoroanilino)pyrimidine-5-carboxamide
CID 109268395
N-(4-chloro-2-methylphenyl)-2-(2-cyanoanilino)pyrimidine-5-carboxamide
CID 109269101
N-(4-chloro-2-methylphenyl)-2-(2-propan-2-yloxyanilino)pyrimidine-5-carboxamide
CID 109269082
2-(2-chloroanilino)-N-(5-chloro-2-methylphenyl)pyrimidine-5-carboxamide
CID 109268652
N-(3-chloro-4-fluorophenyl)-2-(2-methylanilino)pyrimidine-5-carboxamide
CID 109265409
N-(4-chloro-2-methylphenyl)-2-[(2-methylphenyl)methylamino]pyrimidine-5-carboxamide
CID 109255747
2-(2-methylanilino)-N-(2,3,4-trifluorophenyl)pyrimidine-5-carboxamide
CID 109265472
2-(2,4-dichloroanilino)-N-(2,4-dimethylphenyl)pyrimidine-5-carboxamide
CID 109266433
2-(3-chloro-4-fluoroanilino)-N-(2-methylphenyl)pyrimidine-5-carboxamide
CID 109265311
2-[4-(diethylamino)-2-methylanilino]-N-(2-methylphenyl)pyrimidine-5-carboxamide
CID 109265368
2-(3,4-dichloroanilino)-N-(2-methylphenyl)pyrimidine-5-carboxamide
CID 109265360

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-2-(2-methylanilino)pyrimidine-5-carboxamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-2-(2-methylanilino)pyrimidine-5-carboxamide (CID 109265407) is N-(4-chloro-2-methylphenyl)-2-(2-methylanilino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-2-(2-methylanilino)pyrimidine-5-carboxamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-2-(2-methylanilino)pyrimidine-5-carboxamide is Cc1cc(Cl)ccc1NC(=O)c1cnc(Nc2ccccc2C)nc1.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-2-(2-methylanilino)pyrimidine-5-carboxamide?
The InChIKey is HMZOJARJVHILLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O/c1-12-5-3-4-6-16(12)24-19-21-10-14(11-22-19)18(25)23-17-8-7-15(20)9-13(17)2/h3-11H,1-2H3,(H,23,25)(H,21,22,24).
What are the key properties of N-(4-chloro-2-methylphenyl)-2-(2-methylanilino)pyrimidine-5-carboxamide?
N-(4-chloro-2-methylphenyl)-2-(2-methylanilino)pyrimidine-5-carboxamide has a molecular weight of 352.83 g/mol, XLogP of 4.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-2-(2-methylanilino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109265407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).