2-[(2-fluorophenyl)methylamino]-N-phenylpyrimidine-5-carboxamide

C18H15FN4O — CID 109257045

IUPAC2-[(2-fluorophenyl)methylamino]-N-phenylpyrimidine-5-carboxamide
SMILESO=C(Nc1ccccc1)c1cnc(NCc2ccccc2F)nc1
InChIInChI=1S/C18H15FN4O/c19-16-9-5-4-6-13(16)10-20-18-21-11-14(12-22-18)17(24)23-15-7-2-1-3-8-15/h1-9,11-12H,10H2,(H,23,24)(H,20,21,22)
InChIKeyDOAORISWVSNTGH-UHFFFAOYSA-N
MW322.34 g/mol
LogP3.48
Rot. Bonds5

About 2-[(2-fluorophenyl)methylamino]-N-phenylpyrimidine-5-carboxamide

2-[(2-fluorophenyl)methylamino]-N-phenylpyrimidine-5-carboxamide (PubChem CID 109257045) has the molecular formula C18H15FN4O and a molecular weight of 322.34 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methylamino]-N-phenylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methylamino]-N-phenylpyrimidine-5-carboxamide
PubChem CID109257045
Molecular FormulaC18H15FN4O
Molecular Weight322.34 g/mol
Exact Mass322.12
IUPAC Name2-[(2-fluorophenyl)methylamino]-N-phenylpyrimidine-5-carboxamide
SMILESO=C(Nc1ccccc1)c1cnc(NCc2ccccc2F)nc1
InChIInChI=1S/C18H15FN4O/c19-16-9-5-4-6-13(16)10-20-18-21-11-14(12-22-18)17(24)23-15-7-2-1-3-8-15/h1-9,11-12H,10H2,(H,23,24)(H,20,21,22)
InChIKeyDOAORISWVSNTGH-UHFFFAOYSA-N
XLogP3.48
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[[2-[(2-fluorophenyl)methylamino]pyrimidine-5-carbonyl]amino]benzoate
CID 109257110
2-[(2-fluorophenyl)methylamino]-N-[2-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
CID 109257093
N-(2-tert-butylphenyl)-2-[(2-fluorophenyl)methylamino]pyrimidine-5-carboxamide
CID 109257067
2-[(2-fluorophenyl)methylamino]-N-(2-propan-2-ylphenyl)pyrimidine-5-carboxamide
CID 109257062
2-anilino-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide
CID 109256919
2-[(2-fluorophenyl)methylamino]-N-propylpyrimidine-5-carboxamide
CID 109246495
2-(benzylamino)-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide
CID 109255377
2-(2-fluoroanilino)-N-phenylpyrimidine-5-carboxamide
CID 109265090
N-[(2-fluorophenyl)methyl]-2-(prop-2-enylamino)pyrimidine-5-carboxamide
CID 109247875
2-(2-fluorophenyl)-N-phenylpyrimidine-5-carboxamide
CID 16666417
N-[2-(4-chlorophenyl)ethyl]-2-[(2-fluorophenyl)methylamino]pyrimidine-5-carboxamide
CID 109257024
N-phenyl-2-(pyridin-3-ylmethylamino)pyrimidine-5-carboxamide
CID 109258997

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methylamino]-N-phenylpyrimidine-5-carboxamide?
The IUPAC name of 2-[(2-fluorophenyl)methylamino]-N-phenylpyrimidine-5-carboxamide (CID 109257045) is 2-[(2-fluorophenyl)methylamino]-N-phenylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-[(2-fluorophenyl)methylamino]-N-phenylpyrimidine-5-carboxamide?
The canonical SMILES for 2-[(2-fluorophenyl)methylamino]-N-phenylpyrimidine-5-carboxamide is O=C(Nc1ccccc1)c1cnc(NCc2ccccc2F)nc1.
What is the InChIKey of 2-[(2-fluorophenyl)methylamino]-N-phenylpyrimidine-5-carboxamide?
The InChIKey is DOAORISWVSNTGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O/c19-16-9-5-4-6-13(16)10-20-18-21-11-14(12-22-18)17(24)23-15-7-2-1-3-8-15/h1-9,11-12H,10H2,(H,23,24)(H,20,21,22).
What are the key properties of 2-[(2-fluorophenyl)methylamino]-N-phenylpyrimidine-5-carboxamide?
2-[(2-fluorophenyl)methylamino]-N-phenylpyrimidine-5-carboxamide has a molecular weight of 322.34 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methylamino]-N-phenylpyrimidine-5-carboxamide is sourced from PubChem (CID 109257045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).