N-benzyl-2-[(4-fluorophenyl)methylamino]pyrimidine-5-carboxamide

C19H17FN4O — CID 109255220

IUPACN-benzyl-2-[(4-fluorophenyl)methylamino]pyrimidine-5-carboxamide
SMILESO=C(NCc1ccccc1)c1cnc(NCc2ccc(F)cc2)nc1
InChIInChI=1S/C19H17FN4O/c20-17-8-6-15(7-9-17)11-22-19-23-12-16(13-24-19)18(25)21-10-14-4-2-1-3-5-14/h1-9,12-13H,10-11H2,(H,21,25)(H,22,23,24)
InChIKeyXMXLZSNBKVRWJR-UHFFFAOYSA-N
MW336.37 g/mol
LogP3.16
Rot. Bonds6

About N-benzyl-2-[(4-fluorophenyl)methylamino]pyrimidine-5-carboxamide

N-benzyl-2-[(4-fluorophenyl)methylamino]pyrimidine-5-carboxamide (PubChem CID 109255220) has the molecular formula C19H17FN4O and a molecular weight of 336.37 g/mol. Its IUPAC name is N-benzyl-2-[(4-fluorophenyl)methylamino]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-[(4-fluorophenyl)methylamino]pyrimidine-5-carboxamide
PubChem CID109255220
Molecular FormulaC19H17FN4O
Molecular Weight336.37 g/mol
Exact Mass336.14
IUPAC NameN-benzyl-2-[(4-fluorophenyl)methylamino]pyrimidine-5-carboxamide
SMILESO=C(NCc1ccccc1)c1cnc(NCc2ccc(F)cc2)nc1
InChIInChI=1S/C19H17FN4O/c20-17-8-6-15(7-9-17)11-22-19-23-12-16(13-24-19)18(25)21-10-14-4-2-1-3-5-14/h1-9,12-13H,10-11H2,(H,21,25)(H,22,23,24)
InChIKeyXMXLZSNBKVRWJR-UHFFFAOYSA-N
XLogP3.16
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-fluorophenyl)methyl]-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109257138
N-benzyl-2-[2-(4-fluorophenyl)ethylamino]pyrimidine-5-carboxamide
CID 109255233
2-[(4-fluorophenyl)methylamino]-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 109255808
2-(benzylamino)-N-[(4-chlorophenyl)methyl]pyrimidine-5-carboxamide
CID 109255380
2-(benzylamino)-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide
CID 109255377
2-[2-(dimethylamino)ethylamino]-N-[(4-fluorophenyl)methyl]pyrimidine-5-carboxamide
CID 109252869
N-[(4-chlorophenyl)methyl]-2-[(4-chlorophenyl)methylamino]pyrimidine-5-carboxamide
CID 109257576
N-benzyl-4-[2-(benzylamino)pyrimidin-5-yl]benzamide
CID 53108687
2-(ethylamino)-N-[(4-phenylphenyl)methyl]pyrimidine-5-carboxamide
CID 72860213
N-[(4-fluorophenyl)methyl]-2-(N-methylanilino)pyrimidine-5-carboxamide
CID 109257175
N-[(4-methylphenyl)methyl]-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109256088
2-(cyclopentylamino)-N-[(4-fluorophenyl)methyl]pyrimidine-5-carboxamide
CID 109249735

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(4-fluorophenyl)methylamino]pyrimidine-5-carboxamide?
The IUPAC name of N-benzyl-2-[(4-fluorophenyl)methylamino]pyrimidine-5-carboxamide (CID 109255220) is N-benzyl-2-[(4-fluorophenyl)methylamino]pyrimidine-5-carboxamide.
What is the SMILES notation for N-benzyl-2-[(4-fluorophenyl)methylamino]pyrimidine-5-carboxamide?
The canonical SMILES for N-benzyl-2-[(4-fluorophenyl)methylamino]pyrimidine-5-carboxamide is O=C(NCc1ccccc1)c1cnc(NCc2ccc(F)cc2)nc1.
What is the InChIKey of N-benzyl-2-[(4-fluorophenyl)methylamino]pyrimidine-5-carboxamide?
The InChIKey is XMXLZSNBKVRWJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O/c20-17-8-6-15(7-9-17)11-22-19-23-12-16(13-24-19)18(25)21-10-14-4-2-1-3-5-14/h1-9,12-13H,10-11H2,(H,21,25)(H,22,23,24).
What are the key properties of N-benzyl-2-[(4-fluorophenyl)methylamino]pyrimidine-5-carboxamide?
N-benzyl-2-[(4-fluorophenyl)methylamino]pyrimidine-5-carboxamide has a molecular weight of 336.37 g/mol, XLogP of 3.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(4-fluorophenyl)methylamino]pyrimidine-5-carboxamide is sourced from PubChem (CID 109255220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).