2-[2-cyclopentyl-2-(propylamino)ethyl]sulfanyl-4-methyl-1H-pyrimidin-6-one

C15H25N3OS — CID 136913802

IUPAC2-[2-cyclopentyl-2-(propylamino)ethyl]sulfanyl-4-methyl-1H-pyrimidin-6-one
SMILESCCCNC(CSc1nc(C)cc(=O)[nH]1)C1CCCC1
InChIInChI=1S/C15H25N3OS/c1-3-8-16-13(12-6-4-5-7-12)10-20-15-17-11(2)9-14(19)18-15/h9,12-13,16H,3-8,10H2,1-2H3,(H,17,18,19)
InChIKeyOTOHYWOUEJITAE-UHFFFAOYSA-N
MW295.45 g/mol
LogP2.73
Rot. Bonds7

About 2-[2-cyclopentyl-2-(propylamino)ethyl]sulfanyl-4-methyl-1H-pyrimidin-6-one

2-[2-cyclopentyl-2-(propylamino)ethyl]sulfanyl-4-methyl-1H-pyrimidin-6-one (PubChem CID 136913802) has the molecular formula C15H25N3OS and a molecular weight of 295.45 g/mol. Its IUPAC name is 2-[2-cyclopentyl-2-(propylamino)ethyl]sulfanyl-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[2-cyclopentyl-2-(propylamino)ethyl]sulfanyl-4-methyl-1H-pyrimidin-6-one
PubChem CID136913802
Molecular FormulaC15H25N3OS
Molecular Weight295.45 g/mol
Exact Mass295.17
IUPAC Name2-[2-cyclopentyl-2-(propylamino)ethyl]sulfanyl-4-methyl-1H-pyrimidin-6-one
SMILESCCCNC(CSc1nc(C)cc(=O)[nH]1)C1CCCC1
InChIInChI=1S/C15H25N3OS/c1-3-8-16-13(12-6-4-5-7-12)10-20-15-17-11(2)9-14(19)18-15/h9,12-13,16H,3-8,10H2,1-2H3,(H,17,18,19)
InChIKeyOTOHYWOUEJITAE-UHFFFAOYSA-N
XLogP2.73
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[2-cyclopentyl-2-(propylamino)ethyl]sulfanyl-4-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-(2-amino-2-cyclopentylethyl)sulfanyl-4-methyl-1H-pyrimidin-6-one
CID 136913797
2-[2-cyclopentyl-2-(methylamino)ethyl]sulfanyl-4-propyl-1H-pyrimidin-6-one
CID 136913794
1-[2-cyclopentyl-2-(propylamino)ethyl]-4,6-dimethylpyrimidin-2-one
CID 104747038
N-[1-cyclohexyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethyl]propan-1-amine
CID 104755425
1-[2-cyclohexyl-2-(propylamino)ethyl]-4,6-dimethylpyrimidin-2-one
CID 104747034
N-[1-cyclopentyl-2-(4-methylpyrimidin-2-yl)sulfanylethyl]propan-1-amine
CID 104755524
N-[1-cyclohexyl-2-(4-methylpyrimidin-2-yl)sulfanylethyl]propan-1-amine
CID 104755528
N-[1-cyclopentyl-2-(4-methylphenyl)sulfanylethyl]propan-1-amine
CID 66066013
N-[1-cyclopentyl-2-(3,4-dichlorophenyl)sulfanylethyl]propan-1-amine
CID 104755864
3-[2-cyclopentyl-2-(propylamino)ethyl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one
CID 104755579
N-[1-cyclopentyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]propan-1-amine
CID 113449496
2-[2-(methylamino)-2-(oxolan-3-yl)ethyl]sulfanyl-4-propyl-1H-pyrimidin-6-one
CID 136913789

Frequently Asked Questions

What is the IUPAC name of 2-[2-cyclopentyl-2-(propylamino)ethyl]sulfanyl-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[2-cyclopentyl-2-(propylamino)ethyl]sulfanyl-4-methyl-1H-pyrimidin-6-one (CID 136913802) is 2-[2-cyclopentyl-2-(propylamino)ethyl]sulfanyl-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[2-cyclopentyl-2-(propylamino)ethyl]sulfanyl-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[2-cyclopentyl-2-(propylamino)ethyl]sulfanyl-4-methyl-1H-pyrimidin-6-one is CCCNC(CSc1nc(C)cc(=O)[nH]1)C1CCCC1.
What is the InChIKey of 2-[2-cyclopentyl-2-(propylamino)ethyl]sulfanyl-4-methyl-1H-pyrimidin-6-one?
The InChIKey is OTOHYWOUEJITAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3OS/c1-3-8-16-13(12-6-4-5-7-12)10-20-15-17-11(2)9-14(19)18-15/h9,12-13,16H,3-8,10H2,1-2H3,(H,17,18,19).
What are the key properties of 2-[2-cyclopentyl-2-(propylamino)ethyl]sulfanyl-4-methyl-1H-pyrimidin-6-one?
2-[2-cyclopentyl-2-(propylamino)ethyl]sulfanyl-4-methyl-1H-pyrimidin-6-one has a molecular weight of 295.45 g/mol, XLogP of 2.73, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-cyclopentyl-2-(propylamino)ethyl]sulfanyl-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136913802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).