2-(3-chloro-4-methylanilino)-N-phenylpyrimidine-4-carboxamide

C18H15ClN4O — CID 109313532

IUPAC2-(3-chloro-4-methylanilino)-N-phenylpyrimidine-4-carboxamide
SMILESCc1ccc(Nc2nccc(C(=O)Nc3ccccc3)n2)cc1Cl
InChIInChI=1S/C18H15ClN4O/c1-12-7-8-14(11-15(12)19)22-18-20-10-9-16(23-18)17(24)21-13-5-3-2-4-6-13/h2-11H,1H3,(H,21,24)(H,20,22,23)
InChIKeyDZUBDKUMLKCUDG-UHFFFAOYSA-N
MW338.80 g/mol
LogP4.43
Rot. Bonds4

About 2-(3-chloro-4-methylanilino)-N-phenylpyrimidine-4-carboxamide

2-(3-chloro-4-methylanilino)-N-phenylpyrimidine-4-carboxamide (PubChem CID 109313532) has the molecular formula C18H15ClN4O and a molecular weight of 338.80 g/mol. Its IUPAC name is 2-(3-chloro-4-methylanilino)-N-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(3-chloro-4-methylanilino)-N-phenylpyrimidine-4-carboxamide
PubChem CID109313532
Molecular FormulaC18H15ClN4O
Molecular Weight338.80 g/mol
Exact Mass338.09
IUPAC Name2-(3-chloro-4-methylanilino)-N-phenylpyrimidine-4-carboxamide
SMILESCc1ccc(Nc2nccc(C(=O)Nc3ccccc3)n2)cc1Cl
InChIInChI=1S/C18H15ClN4O/c1-12-7-8-14(11-15(12)19)22-18-20-10-9-16(23-18)17(24)21-13-5-3-2-4-6-13/h2-11H,1H3,(H,21,24)(H,20,22,23)
InChIKeyDZUBDKUMLKCUDG-UHFFFAOYSA-N
XLogP4.43
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.80
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chloro-4-methylanilino)-N-(3-chlorophenyl)pyrimidine-4-carboxamide
CID 109316874
N-(3-chloro-4-methylphenyl)-2-(3-methoxyanilino)pyrimidine-4-carboxamide
CID 109317290
2-anilino-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109313398
2-(3-chloro-4-methylanilino)-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109304118
2-(4-acetamidoanilino)-N-phenylpyrimidine-4-carboxamide
CID 109313556
2-(3-chloro-4-methylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109307099
N-(3-chloro-4-methylphenyl)-2-(2-methoxyanilino)pyrimidine-4-carboxamide
CID 109317289
N-(3-chloro-4-methylphenyl)-2-(4-ethoxyanilino)pyrimidine-4-carboxamide
CID 109317293
2-(2,5-dimethylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109313508
N-(3-chloro-4-methylphenyl)-2-(2-cyanoanilino)pyrimidine-4-carboxamide
CID 109317314
methyl 2-[[4-[(3-chloro-4-methylphenyl)carbamoyl]pyrimidin-2-yl]amino]benzoate
CID 109317304
N-(3-chloro-4-fluorophenyl)-2-(3,4-dimethylanilino)pyrimidine-4-carboxamide
CID 109314987

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methylanilino)-N-phenylpyrimidine-4-carboxamide?
The IUPAC name of 2-(3-chloro-4-methylanilino)-N-phenylpyrimidine-4-carboxamide (CID 109313532) is 2-(3-chloro-4-methylanilino)-N-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-(3-chloro-4-methylanilino)-N-phenylpyrimidine-4-carboxamide?
The canonical SMILES for 2-(3-chloro-4-methylanilino)-N-phenylpyrimidine-4-carboxamide is Cc1ccc(Nc2nccc(C(=O)Nc3ccccc3)n2)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-methylanilino)-N-phenylpyrimidine-4-carboxamide?
The InChIKey is DZUBDKUMLKCUDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4O/c1-12-7-8-14(11-15(12)19)22-18-20-10-9-16(23-18)17(24)21-13-5-3-2-4-6-13/h2-11H,1H3,(H,21,24)(H,20,22,23).
What are the key properties of 2-(3-chloro-4-methylanilino)-N-phenylpyrimidine-4-carboxamide?
2-(3-chloro-4-methylanilino)-N-phenylpyrimidine-4-carboxamide has a molecular weight of 338.80 g/mol, XLogP of 4.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methylanilino)-N-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 109313532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).