N-(5-chloro-2-methoxyphenyl)-6-(2-fluoroanilino)pyrimidine-4-carboxamide

C18H14ClFN4O2 — CID 109357807

IUPACN-(5-chloro-2-methoxyphenyl)-6-(2-fluoroanilino)pyrimidine-4-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1cc(Nc2ccccc2F)ncn1
InChIInChI=1S/C18H14ClFN4O2/c1-26-16-7-6-11(19)8-14(16)24-18(25)15-9-17(22-10-21-15)23-13-5-3-2-4-12(13)20/h2-10H,1H3,(H,24,25)(H,21,22,23)
InChIKeyRVJXBSINCOWHFG-UHFFFAOYSA-N
MW372.79 g/mol
LogP4.27
Rot. Bonds5

About N-(5-chloro-2-methoxyphenyl)-6-(2-fluoroanilino)pyrimidine-4-carboxamide

N-(5-chloro-2-methoxyphenyl)-6-(2-fluoroanilino)pyrimidine-4-carboxamide (PubChem CID 109357807) has the molecular formula C18H14ClFN4O2 and a molecular weight of 372.79 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-6-(2-fluoroanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-6-(2-fluoroanilino)pyrimidine-4-carboxamide
PubChem CID109357807
Molecular FormulaC18H14ClFN4O2
Molecular Weight372.79 g/mol
Exact Mass372.08
IUPAC NameN-(5-chloro-2-methoxyphenyl)-6-(2-fluoroanilino)pyrimidine-4-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1cc(Nc2ccccc2F)ncn1
InChIInChI=1S/C18H14ClFN4O2/c1-26-16-7-6-11(19)8-14(16)24-18(25)15-9-17(22-10-21-15)23-13-5-3-2-4-12(13)20/h2-10H,1H3,(H,24,25)(H,21,22,23)
InChIKeyRVJXBSINCOWHFG-UHFFFAOYSA-N
XLogP4.27
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.79
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(5-chloro-2-methoxyphenyl)-6-(2-fluoroanilino)pyrimidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
6-(5-chloro-2-methoxyanilino)-N-(4-chlorophenyl)pyrimidine-4-carboxamide
CID 109358267
N-(5-chloro-2-methoxyphenyl)-6-(3,5-dimethylanilino)pyrimidine-4-carboxamide
CID 109357005
6-(5-chloro-2-methoxyanilino)-N-(2,6-dimethylphenyl)pyrimidine-4-carboxamide
CID 109357128
N-(4-chlorophenyl)-6-(2-methoxyanilino)pyrimidine-4-carboxamide
CID 109358268
6-(5-chloro-2-methoxyanilino)-N-propylpyrimidine-4-carboxamide
CID 109338561
6-(benzylamino)-N-(5-chloro-2-methoxyphenyl)pyrimidine-4-carboxamide
CID 109346555
6-(2,3-dichloroanilino)-N-(2-methoxyphenyl)pyrimidine-4-carboxamide
CID 109358777
N-(2,3-dichlorophenyl)-6-(2-methoxyanilino)pyrimidine-4-carboxamide
CID 109358729
N-(3-fluorophenyl)-6-(2-methoxyanilino)pyrimidine-4-carboxamide
CID 109358715
N-(2-ethylphenyl)-6-(2-methoxy-5-methylanilino)pyrimidine-4-carboxamide
CID 109357298

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-6-(2-fluoroanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-6-(2-fluoroanilino)pyrimidine-4-carboxamide (CID 109357807) is N-(5-chloro-2-methoxyphenyl)-6-(2-fluoroanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-6-(2-fluoroanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-6-(2-fluoroanilino)pyrimidine-4-carboxamide is COc1ccc(Cl)cc1NC(=O)c1cc(Nc2ccccc2F)ncn1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-6-(2-fluoroanilino)pyrimidine-4-carboxamide?
The InChIKey is RVJXBSINCOWHFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN4O2/c1-26-16-7-6-11(19)8-14(16)24-18(25)15-9-17(22-10-21-15)23-13-5-3-2-4-12(13)20/h2-10H,1H3,(H,24,25)(H,21,22,23).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-6-(2-fluoroanilino)pyrimidine-4-carboxamide?
N-(5-chloro-2-methoxyphenyl)-6-(2-fluoroanilino)pyrimidine-4-carboxamide has a molecular weight of 372.79 g/mol, XLogP of 4.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-6-(2-fluoroanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109357807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).