2-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]sulfanyl-4-propyl-1H-pyrimidin-6-one

C14H20N4O2S — CID 135940499

IUPAC2-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]sulfanyl-4-propyl-1H-pyrimidin-6-one
SMILESCCCc1cc(=O)[nH]c(S[C@H](C)c2nc(C(C)C)no2)n1
InChIInChI=1S/C14H20N4O2S/c1-5-6-10-7-11(19)16-14(15-10)21-9(4)13-17-12(8(2)3)18-20-13/h7-9H,5-6H2,1-4H3,(H,15,16,19)/t9-/m1/s1
InChIKeyHWACHGLOOPSOLB-SECBINFHSA-N
MW308.41 g/mol
LogP3.08
Rot. Bonds6

About 2-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]sulfanyl-4-propyl-1H-pyrimidin-6-one

2-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]sulfanyl-4-propyl-1H-pyrimidin-6-one (PubChem CID 135940499) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is 2-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]sulfanyl-4-propyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]sulfanyl-4-propyl-1H-pyrimidin-6-one
PubChem CID135940499
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC Name2-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]sulfanyl-4-propyl-1H-pyrimidin-6-one
SMILESCCCc1cc(=O)[nH]c(S[C@H](C)c2nc(C(C)C)no2)n1
InChIInChI=1S/C14H20N4O2S/c1-5-6-10-7-11(19)16-14(15-10)21-9(4)13-17-12(8(2)3)18-20-13/h7-9H,5-6H2,1-4H3,(H,15,16,19)/t9-/m1/s1
InChIKeyHWACHGLOOPSOLB-SECBINFHSA-N
XLogP3.08
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]sulfanyl-4-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

4-propyl-2-[(1S)-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]sulfanyl-1H-pyrimidin-6-one
CID 137082832
N-(5-methyl-1,2-oxazol-3-yl)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]propanamide
CID 137262476
4-propyl-2-pyrimidin-2-ylsulfanyl-1H-pyrimidin-6-one
CID 136680347
(2S)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]butanamide
CID 135987826
4-propyl-2-[(3,5,6-trichloro-2-pyridinyl)sulfanyl]-1H-pyrimidin-6-one
CID 136822019
3-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]pentanenitrile
CID 135906794
(2S)-N-carbamoyl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]propanamide
CID 135720220
2-[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]sulfanyl-4-propyl-1H-pyrimidin-6-one
CID 136749109
(2S)-N-cyclopropyl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]propanamide
CID 135720241
2-(1,2-oxazol-3-ylmethylsulfanyl)-4-propyl-1H-pyrimidin-6-one
CID 135998670
2-methyl-4-propyl-1H-pyrimidin-6-one
CID 135624230
5,6-dimethyl-2-[1-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]ethyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 135849300

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]sulfanyl-4-propyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]sulfanyl-4-propyl-1H-pyrimidin-6-one (CID 135940499) is 2-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]sulfanyl-4-propyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]sulfanyl-4-propyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]sulfanyl-4-propyl-1H-pyrimidin-6-one is CCCc1cc(=O)[nH]c(S[C@H](C)c2nc(C(C)C)no2)n1.
What is the InChIKey of 2-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]sulfanyl-4-propyl-1H-pyrimidin-6-one?
The InChIKey is HWACHGLOOPSOLB-SECBINFHSA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-5-6-10-7-11(19)16-14(15-10)21-9(4)13-17-12(8(2)3)18-20-13/h7-9H,5-6H2,1-4H3,(H,15,16,19)/t9-/m1/s1.
What are the key properties of 2-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]sulfanyl-4-propyl-1H-pyrimidin-6-one?
2-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]sulfanyl-4-propyl-1H-pyrimidin-6-one has a molecular weight of 308.41 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]sulfanyl-4-propyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135940499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).