4-amino-2-(3,3-difluorocyclopentyl)-5-propyl-1H-pyrimidin-6-one

C12H17F2N3O — CID 137010976

IUPAC4-amino-2-(3,3-difluorocyclopentyl)-5-propyl-1H-pyrimidin-6-one
SMILESCCCc1c(N)nc(C2CCC(F)(F)C2)[nH]c1=O
InChIInChI=1S/C12H17F2N3O/c1-2-3-8-9(15)16-10(17-11(8)18)7-4-5-12(13,14)6-7/h7H,2-6H2,1H3,(H3,15,16,17,18)
InChIKeyROXLBKRIJHCUGJ-UHFFFAOYSA-N
MW257.28 g/mol
LogP2.21
Rot. Bonds3

About 4-amino-2-(3,3-difluorocyclopentyl)-5-propyl-1H-pyrimidin-6-one

4-amino-2-(3,3-difluorocyclopentyl)-5-propyl-1H-pyrimidin-6-one (PubChem CID 137010976) has the molecular formula C12H17F2N3O and a molecular weight of 257.28 g/mol. Its IUPAC name is 4-amino-2-(3,3-difluorocyclopentyl)-5-propyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-amino-2-(3,3-difluorocyclopentyl)-5-propyl-1H-pyrimidin-6-one
PubChem CID137010976
Molecular FormulaC12H17F2N3O
Molecular Weight257.28 g/mol
Exact Mass257.13
IUPAC Name4-amino-2-(3,3-difluorocyclopentyl)-5-propyl-1H-pyrimidin-6-one
SMILESCCCc1c(N)nc(C2CCC(F)(F)C2)[nH]c1=O
InChIInChI=1S/C12H17F2N3O/c1-2-3-8-9(15)16-10(17-11(8)18)7-4-5-12(13,14)6-7/h7H,2-6H2,1H3,(H3,15,16,17,18)
InChIKeyROXLBKRIJHCUGJ-UHFFFAOYSA-N
XLogP2.21
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.28
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-amino-2-(3,3-difluorocyclopentyl)-5-propyl-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

5-cyclopentyl-4-hydroxy-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one
CID 112569351
5-cyclopentyl-4-hydroxy-2-(3,3,3-trifluoropropyl)-1H-pyrimidin-6-one
CID 112569394
2-(3,3-difluorocyclopentyl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
CID 114215369
4-amino-5-propyl-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one
CID 136077669
4-amino-5-propan-2-yl-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one
CID 136077817
4-amino-5-propyl-2-(3,3,3-trifluoropropyl)-1H-pyrimidin-6-one
CID 136288769
4-amino-5-propan-2-yl-2-(3,3,3-trifluoropropyl)-1H-pyrimidin-6-one
CID 136288770
2-(3,3-difluorocyclopentyl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 137010979
2-(3,3-difluorocyclopentyl)-4-methyl-5-propan-2-yl-1H-pyrimidin-6-one
CID 137010980
5-cyclopentyl-2-ethyl-4-hydroxy-1H-pyrimidin-6-one
CID 46734415
5-cyclopentyl-4-hydroxy-2-propyl-1H-pyrimidin-6-one
CID 46734457
2-butyl-5-cyclopentyl-4-hydroxy-1H-pyrimidin-6-one
CID 46734501

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(3,3-difluorocyclopentyl)-5-propyl-1H-pyrimidin-6-one?
The IUPAC name of 4-amino-2-(3,3-difluorocyclopentyl)-5-propyl-1H-pyrimidin-6-one (CID 137010976) is 4-amino-2-(3,3-difluorocyclopentyl)-5-propyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-amino-2-(3,3-difluorocyclopentyl)-5-propyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-amino-2-(3,3-difluorocyclopentyl)-5-propyl-1H-pyrimidin-6-one is CCCc1c(N)nc(C2CCC(F)(F)C2)[nH]c1=O.
What is the InChIKey of 4-amino-2-(3,3-difluorocyclopentyl)-5-propyl-1H-pyrimidin-6-one?
The InChIKey is ROXLBKRIJHCUGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2N3O/c1-2-3-8-9(15)16-10(17-11(8)18)7-4-5-12(13,14)6-7/h7H,2-6H2,1H3,(H3,15,16,17,18).
What are the key properties of 4-amino-2-(3,3-difluorocyclopentyl)-5-propyl-1H-pyrimidin-6-one?
4-amino-2-(3,3-difluorocyclopentyl)-5-propyl-1H-pyrimidin-6-one has a molecular weight of 257.28 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(3,3-difluorocyclopentyl)-5-propyl-1H-pyrimidin-6-one is sourced from PubChem (CID 137010976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).