6-(benzylamino)-N-(2-fluorophenyl)pyrimidine-4-carboxamide

C18H15FN4O — CID 109346544

IUPAC6-(benzylamino)-N-(2-fluorophenyl)pyrimidine-4-carboxamide
SMILESO=C(Nc1ccccc1F)c1cc(NCc2ccccc2)ncn1
InChIInChI=1S/C18H15FN4O/c19-14-8-4-5-9-15(14)23-18(24)16-10-17(22-12-21-16)20-11-13-6-2-1-3-7-13/h1-10,12H,11H2,(H,23,24)(H,20,21,22)
InChIKeyAZGQKKKPAVKWGC-UHFFFAOYSA-N
MW322.34 g/mol
LogP3.48
Rot. Bonds5

About 6-(benzylamino)-N-(2-fluorophenyl)pyrimidine-4-carboxamide

6-(benzylamino)-N-(2-fluorophenyl)pyrimidine-4-carboxamide (PubChem CID 109346544) has the molecular formula C18H15FN4O and a molecular weight of 322.34 g/mol. Its IUPAC name is 6-(benzylamino)-N-(2-fluorophenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(benzylamino)-N-(2-fluorophenyl)pyrimidine-4-carboxamide
PubChem CID109346544
Molecular FormulaC18H15FN4O
Molecular Weight322.34 g/mol
Exact Mass322.12
IUPAC Name6-(benzylamino)-N-(2-fluorophenyl)pyrimidine-4-carboxamide
SMILESO=C(Nc1ccccc1F)c1cc(NCc2ccccc2)ncn1
InChIInChI=1S/C18H15FN4O/c19-14-8-4-5-9-15(14)23-18(24)16-10-17(22-12-21-16)20-11-13-6-2-1-3-7-13/h1-10,12H,11H2,(H,23,24)(H,20,21,22)
InChIKeyAZGQKKKPAVKWGC-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

6-(benzylamino)-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide
CID 109346615
6-(benzylamino)-N-(2-chlorophenyl)pyrimidine-4-carboxamide
CID 109346545
6-(benzylamino)-N-(4-chloro-2-methylphenyl)pyrimidine-4-carboxamide
CID 109346550
N-(2-fluorophenyl)-6-(pentylamino)pyrimidine-4-carboxamide
CID 109354441
N-(2-tert-butylphenyl)-6-[(4-fluorophenyl)methylamino]pyrimidine-4-carboxamide
CID 109348315
6-[(4-chlorophenyl)methylamino]-N-(2,6-difluorophenyl)pyrimidine-4-carboxamide
CID 109348749
6-[(4-chlorophenyl)methylamino]-N-phenylpyrimidine-4-carboxamide
CID 109348697
6-(benzylamino)-N-(5-chloro-2-methoxyphenyl)pyrimidine-4-carboxamide
CID 109346555
N-(2-tert-butylphenyl)-6-[(2-fluorophenyl)methylamino]pyrimidine-4-carboxamide
CID 109348071
6-(benzylamino)-N-[4-(diethylamino)-2-methylphenyl]pyrimidine-4-carboxamide
CID 109346609
N-(2-fluorophenyl)-6-[2-(4-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide
CID 109351447
N-(2-methylphenyl)-6-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109347068

Frequently Asked Questions

What is the IUPAC name of 6-(benzylamino)-N-(2-fluorophenyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(benzylamino)-N-(2-fluorophenyl)pyrimidine-4-carboxamide (CID 109346544) is 6-(benzylamino)-N-(2-fluorophenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(benzylamino)-N-(2-fluorophenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(benzylamino)-N-(2-fluorophenyl)pyrimidine-4-carboxamide is O=C(Nc1ccccc1F)c1cc(NCc2ccccc2)ncn1.
What is the InChIKey of 6-(benzylamino)-N-(2-fluorophenyl)pyrimidine-4-carboxamide?
The InChIKey is AZGQKKKPAVKWGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O/c19-14-8-4-5-9-15(14)23-18(24)16-10-17(22-12-21-16)20-11-13-6-2-1-3-7-13/h1-10,12H,11H2,(H,23,24)(H,20,21,22).
What are the key properties of 6-(benzylamino)-N-(2-fluorophenyl)pyrimidine-4-carboxamide?
6-(benzylamino)-N-(2-fluorophenyl)pyrimidine-4-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 6-(benzylamino)-N-(2-fluorophenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109346544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).