2-(4-chloroanilino)-N-(2-methoxyphenyl)pyrimidine-5-carboxamide

C18H15ClN4O2 — CID 109268879

IUPAC2-(4-chloroanilino)-N-(2-methoxyphenyl)pyrimidine-5-carboxamide
SMILESCOc1ccccc1NC(=O)c1cnc(Nc2ccc(Cl)cc2)nc1
InChIInChI=1S/C18H15ClN4O2/c1-25-16-5-3-2-4-15(16)23-17(24)12-10-20-18(21-11-12)22-14-8-6-13(19)7-9-14/h2-11H,1H3,(H,23,24)(H,20,21,22)
InChIKeyLBEYOENCKOWACJ-UHFFFAOYSA-N
MW354.80 g/mol
LogP4.13
Rot. Bonds5

About 2-(4-chloroanilino)-N-(2-methoxyphenyl)pyrimidine-5-carboxamide

2-(4-chloroanilino)-N-(2-methoxyphenyl)pyrimidine-5-carboxamide (PubChem CID 109268879) has the molecular formula C18H15ClN4O2 and a molecular weight of 354.80 g/mol. Its IUPAC name is 2-(4-chloroanilino)-N-(2-methoxyphenyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(4-chloroanilino)-N-(2-methoxyphenyl)pyrimidine-5-carboxamide
PubChem CID109268879
Molecular FormulaC18H15ClN4O2
Molecular Weight354.80 g/mol
Exact Mass354.09
IUPAC Name2-(4-chloroanilino)-N-(2-methoxyphenyl)pyrimidine-5-carboxamide
SMILESCOc1ccccc1NC(=O)c1cnc(Nc2ccc(Cl)cc2)nc1
InChIInChI=1S/C18H15ClN4O2/c1-25-16-5-3-2-4-15(16)23-17(24)12-10-20-18(21-11-12)22-14-8-6-13(19)7-9-14/h2-11H,1H3,(H,23,24)(H,20,21,22)
InChIKeyLBEYOENCKOWACJ-UHFFFAOYSA-N
XLogP4.13
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.80
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-chlorophenyl)methylamino]-N-(2-methoxyphenyl)pyrimidine-5-carboxamide
CID 109257738
N-(2-chlorophenyl)-2-(2-methoxyanilino)pyrimidine-5-carboxamide
CID 109268603
2-(4-chloroanilino)-N-(3,4-dimethoxyphenyl)pyrimidine-5-carboxamide
CID 109268889
N-(3-chlorophenyl)-2-(2-methoxyanilino)pyrimidine-5-carboxamide
CID 109268715
N-(3,4-difluorophenyl)-2-(2-methoxyanilino)pyrimidine-5-carboxamide
CID 109269495
2-(3-bromoanilino)-N-(2-methoxyphenyl)pyrimidine-5-carboxamide
CID 109269426
2-(4-chloroanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-5-carboxamide
CID 109257832
N-(4-chlorophenyl)-6-(2-methoxyanilino)pyridine-3-carboxamide
CID 109163500
N-(2-methoxyphenyl)-2-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide
CID 109269412
2-anilino-N-(2-methoxy-5-methylphenyl)pyrimidine-5-carboxamide
CID 109265216
2-(5-chloro-2-methoxyanilino)-N-(4-fluorophenyl)pyrimidine-5-carboxamide
CID 109268468
2-N,5-N-bis(2-methoxyphenyl)pyridine-2,5-dicarboxamide
CID 1369664

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloroanilino)-N-(2-methoxyphenyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(4-chloroanilino)-N-(2-methoxyphenyl)pyrimidine-5-carboxamide (CID 109268879) is 2-(4-chloroanilino)-N-(2-methoxyphenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(4-chloroanilino)-N-(2-methoxyphenyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(4-chloroanilino)-N-(2-methoxyphenyl)pyrimidine-5-carboxamide is COc1ccccc1NC(=O)c1cnc(Nc2ccc(Cl)cc2)nc1.
What is the InChIKey of 2-(4-chloroanilino)-N-(2-methoxyphenyl)pyrimidine-5-carboxamide?
The InChIKey is LBEYOENCKOWACJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4O2/c1-25-16-5-3-2-4-15(16)23-17(24)12-10-20-18(21-11-12)22-14-8-6-13(19)7-9-14/h2-11H,1H3,(H,23,24)(H,20,21,22).
What are the key properties of 2-(4-chloroanilino)-N-(2-methoxyphenyl)pyrimidine-5-carboxamide?
2-(4-chloroanilino)-N-(2-methoxyphenyl)pyrimidine-5-carboxamide has a molecular weight of 354.80 g/mol, XLogP of 4.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloroanilino)-N-(2-methoxyphenyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109268879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).