2-(cyclopentylamino)-N-[(4-fluorophenyl)methyl]pyrimidine-5-carboxamide

C17H19FN4O — CID 109249735

IUPAC2-(cyclopentylamino)-N-[(4-fluorophenyl)methyl]pyrimidine-5-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1cnc(NC2CCCC2)nc1
InChIInChI=1S/C17H19FN4O/c18-14-7-5-12(6-8-14)9-19-16(23)13-10-20-17(21-11-13)22-15-3-1-2-4-15/h5-8,10-11,15H,1-4,9H2,(H,19,23)(H,20,21,22)
InChIKeyJJQBTRWCYOYWFU-UHFFFAOYSA-N
MW314.36 g/mol
LogP2.90
Rot. Bonds5

About 2-(cyclopentylamino)-N-[(4-fluorophenyl)methyl]pyrimidine-5-carboxamide

2-(cyclopentylamino)-N-[(4-fluorophenyl)methyl]pyrimidine-5-carboxamide (PubChem CID 109249735) has the molecular formula C17H19FN4O and a molecular weight of 314.36 g/mol. Its IUPAC name is 2-(cyclopentylamino)-N-[(4-fluorophenyl)methyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(cyclopentylamino)-N-[(4-fluorophenyl)methyl]pyrimidine-5-carboxamide
PubChem CID109249735
Molecular FormulaC17H19FN4O
Molecular Weight314.36 g/mol
Exact Mass314.15
IUPAC Name2-(cyclopentylamino)-N-[(4-fluorophenyl)methyl]pyrimidine-5-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1cnc(NC2CCCC2)nc1
InChIInChI=1S/C17H19FN4O/c18-14-7-5-12(6-8-14)9-19-16(23)13-10-20-17(21-11-13)22-15-3-1-2-4-15/h5-8,10-11,15H,1-4,9H2,(H,19,23)(H,20,21,22)
InChIKeyJJQBTRWCYOYWFU-UHFFFAOYSA-N
XLogP2.90
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cycloheptylamino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 109256112
3-[2-(cyclohexylamino)pyrimidin-5-yl]-N-[(4-fluorophenyl)methyl]benzamide
CID 53010659
5-(cycloheptylamino)-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide
CID 109233566
N-benzyl-2-[(4-fluorophenyl)methylamino]pyrimidine-5-carboxamide
CID 109255220
2-(cyclopentylamino)-N-[(2-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 109249729
2-[(1,1-dioxothiolan-3-yl)amino]-N-[2-(4-fluorophenyl)ethyl]pyrimidine-5-carboxamide
CID 109260020
N-benzyl-2-[2-(4-fluorophenyl)ethylamino]pyrimidine-5-carboxamide
CID 109255233
2-[2-(dimethylamino)ethylamino]-N-[(4-fluorophenyl)methyl]pyrimidine-5-carboxamide
CID 109252869
N-[(4-fluorophenyl)methyl]-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109257138
5-N-[(4-fluorophenyl)methyl]-2-N-hydroxypyridine-2,5-dicarboxamide
CID 44540008
N-[(4-fluorophenyl)methyl]-6-methylpyridine-3-carboxamide
CID 18148195
N-butyl-2-(cyclohexylamino)pyrimidine-5-carboxamide
CID 109248050

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylamino)-N-[(4-fluorophenyl)methyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-(cyclopentylamino)-N-[(4-fluorophenyl)methyl]pyrimidine-5-carboxamide (CID 109249735) is 2-(cyclopentylamino)-N-[(4-fluorophenyl)methyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(cyclopentylamino)-N-[(4-fluorophenyl)methyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-(cyclopentylamino)-N-[(4-fluorophenyl)methyl]pyrimidine-5-carboxamide is O=C(NCc1ccc(F)cc1)c1cnc(NC2CCCC2)nc1.
What is the InChIKey of 2-(cyclopentylamino)-N-[(4-fluorophenyl)methyl]pyrimidine-5-carboxamide?
The InChIKey is JJQBTRWCYOYWFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O/c18-14-7-5-12(6-8-14)9-19-16(23)13-10-20-17(21-11-13)22-15-3-1-2-4-15/h5-8,10-11,15H,1-4,9H2,(H,19,23)(H,20,21,22).
What are the key properties of 2-(cyclopentylamino)-N-[(4-fluorophenyl)methyl]pyrimidine-5-carboxamide?
2-(cyclopentylamino)-N-[(4-fluorophenyl)methyl]pyrimidine-5-carboxamide has a molecular weight of 314.36 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylamino)-N-[(4-fluorophenyl)methyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 109249735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).