N-(4-chlorophenyl)-6-(2-methoxyanilino)pyrimidine-4-carboxamide

C18H15ClN4O2 — CID 109358268

IUPACN-(4-chlorophenyl)-6-(2-methoxyanilino)pyrimidine-4-carboxamide
SMILESCOc1ccccc1Nc1cc(C(=O)Nc2ccc(Cl)cc2)ncn1
InChIInChI=1S/C18H15ClN4O2/c1-25-16-5-3-2-4-14(16)23-17-10-15(20-11-21-17)18(24)22-13-8-6-12(19)7-9-13/h2-11H,1H3,(H,22,24)(H,20,21,23)
InChIKeyXCKJTPWJVZYXNC-UHFFFAOYSA-N
MW354.80 g/mol
LogP4.13
Rot. Bonds5

About N-(4-chlorophenyl)-6-(2-methoxyanilino)pyrimidine-4-carboxamide

N-(4-chlorophenyl)-6-(2-methoxyanilino)pyrimidine-4-carboxamide (PubChem CID 109358268) has the molecular formula C18H15ClN4O2 and a molecular weight of 354.80 g/mol. Its IUPAC name is N-(4-chlorophenyl)-6-(2-methoxyanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-6-(2-methoxyanilino)pyrimidine-4-carboxamide
PubChem CID109358268
Molecular FormulaC18H15ClN4O2
Molecular Weight354.80 g/mol
Exact Mass354.09
IUPAC NameN-(4-chlorophenyl)-6-(2-methoxyanilino)pyrimidine-4-carboxamide
SMILESCOc1ccccc1Nc1cc(C(=O)Nc2ccc(Cl)cc2)ncn1
InChIInChI=1S/C18H15ClN4O2/c1-25-16-5-3-2-4-14(16)23-17-10-15(20-11-21-17)18(24)22-13-8-6-12(19)7-9-13/h2-11H,1H3,(H,22,24)(H,20,21,23)
InChIKeyXCKJTPWJVZYXNC-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

6-(2-methoxyanilino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 109358693
6-(5-chloro-2-methoxyanilino)-N-(4-chlorophenyl)pyrimidine-4-carboxamide
CID 109358267
N-(4-chlorophenyl)-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109358274
N-(5-chloro-2-methylphenyl)-6-(2-methoxyanilino)pyrimidine-4-carboxamide
CID 109358391
6-(2,4-dichloroanilino)-N-(2-methoxyphenyl)pyrimidine-4-carboxamide
CID 109358773
N-(4-chlorophenyl)-6-(2-ethylanilino)pyrimidine-4-carboxamide
CID 109357249
N-(3-fluorophenyl)-6-(2-methoxyanilino)pyrimidine-4-carboxamide
CID 109358715
6-(2-methoxyanilino)-N-(2-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 109358697
N-(2,3-dichlorophenyl)-6-(2-methoxyanilino)pyrimidine-4-carboxamide
CID 109358729
N-(5-chloro-2-methoxyphenyl)-6-(2-fluoroanilino)pyrimidine-4-carboxamide
CID 109357807
N-(2,4-dimethylphenyl)-6-(2-methoxyanilino)pyrimidine-4-carboxamide
CID 109356801
6-(2,4-dimethoxyanilino)-N-phenylpyrimidine-4-carboxamide
CID 109355840

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-6-(2-methoxyanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-6-(2-methoxyanilino)pyrimidine-4-carboxamide (CID 109358268) is N-(4-chlorophenyl)-6-(2-methoxyanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-6-(2-methoxyanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-6-(2-methoxyanilino)pyrimidine-4-carboxamide is COc1ccccc1Nc1cc(C(=O)Nc2ccc(Cl)cc2)ncn1.
What is the InChIKey of N-(4-chlorophenyl)-6-(2-methoxyanilino)pyrimidine-4-carboxamide?
The InChIKey is XCKJTPWJVZYXNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4O2/c1-25-16-5-3-2-4-14(16)23-17-10-15(20-11-21-17)18(24)22-13-8-6-12(19)7-9-13/h2-11H,1H3,(H,22,24)(H,20,21,23).
What are the key properties of N-(4-chlorophenyl)-6-(2-methoxyanilino)pyrimidine-4-carboxamide?
N-(4-chlorophenyl)-6-(2-methoxyanilino)pyrimidine-4-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 N-(4-chlorophenyl)-6-(2-methoxyanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109358268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).