2-[(4-fluorophenyl)methylamino]-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide

C20H19FN4O — CID 109255808

IUPAC2-[(4-fluorophenyl)methylamino]-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide
SMILESCc1cccc(CNC(=O)c2cnc(NCc3ccc(F)cc3)nc2)c1
InChIInChI=1S/C20H19FN4O/c1-14-3-2-4-16(9-14)11-22-19(26)17-12-24-20(25-13-17)23-10-15-5-7-18(21)8-6-15/h2-9,12-13H,10-11H2,1H3,(H,22,26)(H,23,24,25)
InChIKeyFKFPKJQJYSAHRQ-UHFFFAOYSA-N
MW350.40 g/mol
LogP3.47
Rot. Bonds6

About 2-[(4-fluorophenyl)methylamino]-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide

2-[(4-fluorophenyl)methylamino]-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide (PubChem CID 109255808) has the molecular formula C20H19FN4O and a molecular weight of 350.40 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methylamino]-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methylamino]-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide
PubChem CID109255808
Molecular FormulaC20H19FN4O
Molecular Weight350.40 g/mol
Exact Mass350.15
IUPAC Name2-[(4-fluorophenyl)methylamino]-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide
SMILESCc1cccc(CNC(=O)c2cnc(NCc3ccc(F)cc3)nc2)c1
InChIInChI=1S/C20H19FN4O/c1-14-3-2-4-16(9-14)11-22-19(26)17-12-24-20(25-13-17)23-10-15-5-7-18(21)8-6-15/h2-9,12-13H,10-11H2,1H3,(H,22,26)(H,23,24,25)
InChIKeyFKFPKJQJYSAHRQ-UHFFFAOYSA-N
XLogP3.47
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-[(4-fluorophenyl)methylamino]pyrimidine-5-carboxamide
CID 109255220
N-[(4-methoxyphenyl)methyl]-2-[(3-methylphenyl)methylamino]pyrimidine-5-carboxamide
CID 109255947
N-[(2-fluorophenyl)methyl]-2-[(3-methylphenyl)methylamino]pyrimidine-5-carboxamide
CID 109255942
N-[(4-fluorophenyl)methyl]-5-[(3-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109188488
2-methyl-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 90099980
2-[2-(2-fluorophenyl)ethylamino]-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 109255820
N-benzyl-2-[2-(4-fluorophenyl)ethylamino]pyrimidine-5-carboxamide
CID 109255233
N-[(4-fluorophenyl)methyl]-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109257138
N-[(4-fluorophenyl)methyl]-6-[(3-methylphenyl)methylamino]pyridazine-3-carboxamide
CID 109118231
2-[(3-methylphenyl)methylamino]-N-phenylpyrimidine-5-carboxamide
CID 109255987
5-(4-fluorophenyl)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide
CID 53020754
2-(2-methylanilino)-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 109255853

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methylamino]-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-[(4-fluorophenyl)methylamino]-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide (CID 109255808) is 2-[(4-fluorophenyl)methylamino]-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[(4-fluorophenyl)methylamino]-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-[(4-fluorophenyl)methylamino]-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide is Cc1cccc(CNC(=O)c2cnc(NCc3ccc(F)cc3)nc2)c1.
What is the InChIKey of 2-[(4-fluorophenyl)methylamino]-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide?
The InChIKey is FKFPKJQJYSAHRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O/c1-14-3-2-4-16(9-14)11-22-19(26)17-12-24-20(25-13-17)23-10-15-5-7-18(21)8-6-15/h2-9,12-13H,10-11H2,1H3,(H,22,26)(H,23,24,25).
What are the key properties of 2-[(4-fluorophenyl)methylamino]-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide?
2-[(4-fluorophenyl)methylamino]-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide has a molecular weight of 350.40 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methylamino]-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 109255808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).