2-(cyclopentylamino)-4-[(2,6-difluorophenyl)methyl]-5-methyl-1H-pyrimidin-6-one

C17H19F2N3O — CID 135402831

IUPAC2-(cyclopentylamino)-4-[(2,6-difluorophenyl)methyl]-5-methyl-1H-pyrimidin-6-one
SMILESCc1c(Cc2c(F)cccc2F)nc(NC2CCCC2)[nH]c1=O
InChIInChI=1S/C17H19F2N3O/c1-10-15(9-12-13(18)7-4-8-14(12)19)21-17(22-16(10)23)20-11-5-2-3-6-11/h4,7-8,11H,2-3,5-6,9H2,1H3,(H2,20,21,22,23)
InChIKeyKKDXAEVIBXHCBE-UHFFFAOYSA-N
MW319.35 g/mol
LogP3.30
Rot. Bonds4

About 2-(cyclopentylamino)-4-[(2,6-difluorophenyl)methyl]-5-methyl-1H-pyrimidin-6-one

2-(cyclopentylamino)-4-[(2,6-difluorophenyl)methyl]-5-methyl-1H-pyrimidin-6-one (PubChem CID 135402831) has the molecular formula C17H19F2N3O and a molecular weight of 319.35 g/mol. Its IUPAC name is 2-(cyclopentylamino)-4-[(2,6-difluorophenyl)methyl]-5-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(cyclopentylamino)-4-[(2,6-difluorophenyl)methyl]-5-methyl-1H-pyrimidin-6-one
PubChem CID135402831
Molecular FormulaC17H19F2N3O
Molecular Weight319.35 g/mol
Exact Mass319.15
IUPAC Name2-(cyclopentylamino)-4-[(2,6-difluorophenyl)methyl]-5-methyl-1H-pyrimidin-6-one
SMILESCc1c(Cc2c(F)cccc2F)nc(NC2CCCC2)[nH]c1=O
InChIInChI=1S/C17H19F2N3O/c1-10-15(9-12-13(18)7-4-8-14(12)19)21-17(22-16(10)23)20-11-5-2-3-6-11/h4,7-8,11H,2-3,5-6,9H2,1H3,(H2,20,21,22,23)
InChIKeyKKDXAEVIBXHCBE-UHFFFAOYSA-N
XLogP3.30
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.35
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(cyclopentylamino)-4-[(2,6-difluorophenyl)methyl]-5-methyl-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(cyclopentylamino)-4-[(2,6-difluorophenyl)methyl]-1H-pyrimidin-6-one
CID 135402830
2-(cyclopentylamino)-4-[1-(2,6-difluorophenyl)ethyl]-1H-pyrimidin-6-one
CID 135402832
2-(cyclopentylamino)-4-[1-(2,6-difluorophenyl)ethyl]-5-methyl-1H-pyrimidin-6-one
CID 135402833
6-[1-(2,6-difluorophenyl)ethyl]-2-(dimethylamino)-5-methyl-1H-pyrimidin-4-one
CID 135406941
4(3H)-Pyrimidinone, 6-[1-(2,6-difluorophenyl)ethyl]-2-(ethylmethylamino)-5-methyl-
CID 135454796
6-Methyl-2-[(phenylmethyl)amino]-4(3H)-pyrimidinone
CID 135421723
4-[(2,6-difluorophenyl)methyl]-2-(dimethylamino)-1H-pyrimidin-6-one
CID 135434830
4-[1-(2,6-difluorophenyl)ethyl]-2-[methyl(propyl)amino]-1H-pyrimidin-6-one
CID 135846089
4-[1-(2,6-difluorophenyl)ethyl]-2-[isopropyl(methyl)amino]-5-methyl-1H-pyrimidin-6-one
CID 135846095
4-[1-(2,6-difluorophenyl)ethyl]-2-(dimethylamino)-1H-pyrimidin-6-one
CID 135846115
4-[1-(2,6-difluorophenyl)ethyl]-5-methyl-2-[methyl(propyl)amino]-1H-pyrimidin-6-one
CID 135846117
4-[(2,6-difluorophenyl)methyl]-2-pyrrolidin-1-yl-1H-pyrimidin-6-one
CID 135410318

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylamino)-4-[(2,6-difluorophenyl)methyl]-5-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(cyclopentylamino)-4-[(2,6-difluorophenyl)methyl]-5-methyl-1H-pyrimidin-6-one (CID 135402831) is 2-(cyclopentylamino)-4-[(2,6-difluorophenyl)methyl]-5-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(cyclopentylamino)-4-[(2,6-difluorophenyl)methyl]-5-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(cyclopentylamino)-4-[(2,6-difluorophenyl)methyl]-5-methyl-1H-pyrimidin-6-one is Cc1c(Cc2c(F)cccc2F)nc(NC2CCCC2)[nH]c1=O.
What is the InChIKey of 2-(cyclopentylamino)-4-[(2,6-difluorophenyl)methyl]-5-methyl-1H-pyrimidin-6-one?
The InChIKey is KKDXAEVIBXHCBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N3O/c1-10-15(9-12-13(18)7-4-8-14(12)19)21-17(22-16(10)23)20-11-5-2-3-6-11/h4,7-8,11H,2-3,5-6,9H2,1H3,(H2,20,21,22,23).
What are the key properties of 2-(cyclopentylamino)-4-[(2,6-difluorophenyl)methyl]-5-methyl-1H-pyrimidin-6-one?
2-(cyclopentylamino)-4-[(2,6-difluorophenyl)methyl]-5-methyl-1H-pyrimidin-6-one has a molecular weight of 319.35 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylamino)-4-[(2,6-difluorophenyl)methyl]-5-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135402831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).