2-(4-fluoroanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-5-carboxamide

C19H17FN4O2 — CID 109257829

IUPAC2-(4-fluoroanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-5-carboxamide
SMILESCOc1ccccc1CNC(=O)c1cnc(Nc2ccc(F)cc2)nc1
InChIInChI=1S/C19H17FN4O2/c1-26-17-5-3-2-4-13(17)10-21-18(25)14-11-22-19(23-12-14)24-16-8-6-15(20)7-9-16/h2-9,11-12H,10H2,1H3,(H,21,25)(H,22,23,24)
InChIKeyGBNNEUOUWHHZOO-UHFFFAOYSA-N
MW352.37 g/mol
LogP3.30
Rot. Bonds6

About 2-(4-fluoroanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-5-carboxamide

2-(4-fluoroanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-5-carboxamide (PubChem CID 109257829) has the molecular formula C19H17FN4O2 and a molecular weight of 352.37 g/mol. Its IUPAC name is 2-(4-fluoroanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(4-fluoroanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-5-carboxamide
PubChem CID109257829
Molecular FormulaC19H17FN4O2
Molecular Weight352.37 g/mol
Exact Mass352.13
IUPAC Name2-(4-fluoroanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-5-carboxamide
SMILESCOc1ccccc1CNC(=O)c1cnc(Nc2ccc(F)cc2)nc1
InChIInChI=1S/C19H17FN4O2/c1-26-17-5-3-2-4-13(17)10-21-18(25)14-11-22-19(23-12-14)24-16-8-6-15(20)7-9-16/h2-9,11-12H,10H2,1H3,(H,21,25)(H,22,23,24)
InChIKeyGBNNEUOUWHHZOO-UHFFFAOYSA-N
XLogP3.30
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(4-fluoroanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-5-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

2-(4-chloroanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-5-carboxamide
CID 109257832
N-[(2-methoxyphenyl)methyl]-2-(4-propan-2-ylanilino)pyrimidine-5-carboxamide
CID 109257822
2-(3-methoxyanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-5-carboxamide
CID 109257842
2-(2,4-difluoroanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-5-carboxamide
CID 109257864
2-(3,4-dimethoxyanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-5-carboxamide
CID 109257218
N-[(2-methoxyphenyl)methyl]-2-(2-propan-2-ylanilino)pyrimidine-5-carboxamide
CID 109257821
2-anilino-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide
CID 109256919
N-[(2-methoxyphenyl)methyl]pyrimidine-5-carboxamide
CID 110466860
N-(2-ethylphenyl)-2-(4-fluoroanilino)pyrimidine-5-carboxamide
CID 109267292
6-(4-ethoxyanilino)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109157190
6-[4-(dimethylamino)anilino]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109157204
N-[(2-fluorophenyl)methyl]-2-(2-methoxy-5-methylanilino)pyrimidine-5-carboxamide
CID 109256961

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoroanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-(4-fluoroanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-5-carboxamide (CID 109257829) is 2-(4-fluoroanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(4-fluoroanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-(4-fluoroanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-5-carboxamide is COc1ccccc1CNC(=O)c1cnc(Nc2ccc(F)cc2)nc1.
What is the InChIKey of 2-(4-fluoroanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-5-carboxamide?
The InChIKey is GBNNEUOUWHHZOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O2/c1-26-17-5-3-2-4-13(17)10-21-18(25)14-11-22-19(23-12-14)24-16-8-6-15(20)7-9-16/h2-9,11-12H,10H2,1H3,(H,21,25)(H,22,23,24).
What are the key properties of 2-(4-fluoroanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-5-carboxamide?
2-(4-fluoroanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-5-carboxamide has a molecular weight of 352.37 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoroanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 109257829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).