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

C17H19F2N3O — CID 135402832

IUPAC2-(cyclopentylamino)-4-[1-(2,6-difluorophenyl)ethyl]-1H-pyrimidin-6-one
SMILESCC(c1cc(=O)[nH]c(NC2CCCC2)n1)c1c(F)cccc1F
InChIInChI=1S/C17H19F2N3O/c1-10(16-12(18)7-4-8-13(16)19)14-9-15(23)22-17(21-14)20-11-5-2-3-6-11/h4,7-11H,2-3,5-6H2,1H3,(H2,20,21,22,23)
InChIKeyITIVZMJXVUFETB-UHFFFAOYSA-N
MW319.36 g/mol
LogP3.55
Rot. Bonds4

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

2-(cyclopentylamino)-4-[1-(2,6-difluorophenyl)ethyl]-1H-pyrimidin-6-one (PubChem CID 135402832) has the molecular formula C17H19F2N3O and a molecular weight of 319.36 g/mol. Its IUPAC name is 2-(cyclopentylamino)-4-[1-(2,6-difluorophenyl)ethyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(cyclopentylamino)-4-[1-(2,6-difluorophenyl)ethyl]-1H-pyrimidin-6-one
PubChem CID135402832
Molecular FormulaC17H19F2N3O
Molecular Weight319.36 g/mol
Exact Mass319.15
IUPAC Name2-(cyclopentylamino)-4-[1-(2,6-difluorophenyl)ethyl]-1H-pyrimidin-6-one
SMILESCC(c1cc(=O)[nH]c(NC2CCCC2)n1)c1c(F)cccc1F
InChIInChI=1S/C17H19F2N3O/c1-10(16-12(18)7-4-8-13(16)19)14-9-15(23)22-17(21-14)20-11-5-2-3-6-11/h4,7-11H,2-3,5-6H2,1H3,(H2,20,21,22,23)
InChIKeyITIVZMJXVUFETB-UHFFFAOYSA-N
XLogP3.55
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(cyclopentylamino)-4-[1-(2,6-difluorophenyl)ethyl]-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-[(2,6-difluorophenyl)methyl]-5-methyl-1H-pyrimidin-6-one
CID 135402831
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
6-Methyl-2-[(phenylmethyl)amino]-4(3H)-pyrimidinone
CID 135421723
4(3H)-Pyrimidinone, 6-[1-(2,6-difluorophenyl)ethyl]-2-(ethylmethylamino)-5-methyl-
CID 135454796
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
2-Phenethylamino-6-propyl-3H-pyrimidin-4-one
CID 135424365
4-[(2,6-difluorophenyl)methyl]-2-(dimethylamino)-1H-pyrimidin-6-one
CID 135434830

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylamino)-4-[1-(2,6-difluorophenyl)ethyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-(cyclopentylamino)-4-[1-(2,6-difluorophenyl)ethyl]-1H-pyrimidin-6-one (CID 135402832) is 2-(cyclopentylamino)-4-[1-(2,6-difluorophenyl)ethyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(cyclopentylamino)-4-[1-(2,6-difluorophenyl)ethyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-(cyclopentylamino)-4-[1-(2,6-difluorophenyl)ethyl]-1H-pyrimidin-6-one is CC(c1cc(=O)[nH]c(NC2CCCC2)n1)c1c(F)cccc1F.
What is the InChIKey of 2-(cyclopentylamino)-4-[1-(2,6-difluorophenyl)ethyl]-1H-pyrimidin-6-one?
The InChIKey is ITIVZMJXVUFETB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N3O/c1-10(16-12(18)7-4-8-13(16)19)14-9-15(23)22-17(21-14)20-11-5-2-3-6-11/h4,7-11H,2-3,5-6H2,1H3,(H2,20,21,22,23).
What are the key properties of 2-(cyclopentylamino)-4-[1-(2,6-difluorophenyl)ethyl]-1H-pyrimidin-6-one?
2-(cyclopentylamino)-4-[1-(2,6-difluorophenyl)ethyl]-1H-pyrimidin-6-one has a molecular weight of 319.36 g/mol, XLogP of 3.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylamino)-4-[1-(2,6-difluorophenyl)ethyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 135402832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).