2-[2-(methylamino)-2-(oxolan-3-yl)ethyl]sulfanyl-4-propyl-1H-pyrimidin-6-one

C14H23N3O2S — CID 136913789

IUPAC2-[2-(methylamino)-2-(oxolan-3-yl)ethyl]sulfanyl-4-propyl-1H-pyrimidin-6-one
SMILESCCCc1cc(=O)[nH]c(SCC(NC)C2CCOC2)n1
InChIInChI=1S/C14H23N3O2S/c1-3-4-11-7-13(18)17-14(16-11)20-9-12(15-2)10-5-6-19-8-10/h7,10,12,15H,3-6,8-9H2,1-2H3,(H,16,17,18)
InChIKeyYSVWHZUHXFAMQY-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.44
Rot. Bonds7

About 2-[2-(methylamino)-2-(oxolan-3-yl)ethyl]sulfanyl-4-propyl-1H-pyrimidin-6-one

2-[2-(methylamino)-2-(oxolan-3-yl)ethyl]sulfanyl-4-propyl-1H-pyrimidin-6-one (PubChem CID 136913789) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 2-[2-(methylamino)-2-(oxolan-3-yl)ethyl]sulfanyl-4-propyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[2-(methylamino)-2-(oxolan-3-yl)ethyl]sulfanyl-4-propyl-1H-pyrimidin-6-one
PubChem CID136913789
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name2-[2-(methylamino)-2-(oxolan-3-yl)ethyl]sulfanyl-4-propyl-1H-pyrimidin-6-one
SMILESCCCc1cc(=O)[nH]c(SCC(NC)C2CCOC2)n1
InChIInChI=1S/C14H23N3O2S/c1-3-4-11-7-13(18)17-14(16-11)20-9-12(15-2)10-5-6-19-8-10/h7,10,12,15H,3-6,8-9H2,1-2H3,(H,16,17,18)
InChIKeyYSVWHZUHXFAMQY-UHFFFAOYSA-N
XLogP1.44
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-cyclopentyl-2-(methylamino)ethyl]sulfanyl-4-propyl-1H-pyrimidin-6-one
CID 136913794
2-[3-(cyclopropylamino)-2-hydroxypropyl]sulfanyl-4-propyl-1H-pyrimidin-6-one
CID 135906782
2-(oxolan-2-ylmethylsulfanyl)-4-propyl-1H-pyrimidin-6-one
CID 135537400
2-[2-cyclopentyl-2-(propylamino)ethyl]sulfanyl-4-methyl-1H-pyrimidin-6-one
CID 136913802
2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-methyl-1-(oxolan-3-yl)ethanamine
CID 113449572
2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-4-propyl-1H-pyrimidin-6-one
CID 135413053
2-(1,2-oxazol-3-ylmethylsulfanyl)-4-propyl-1H-pyrimidin-6-one
CID 135998670
N-methyl-2-(5-methylpyrimidin-2-yl)sulfanyl-1-(oxolan-3-yl)ethanamine
CID 104755794
2-[2-amino-2-(4-fluorophenyl)ethyl]sulfanyl-4-propyl-1H-pyrimidin-6-one
CID 136857296
N-methyl-2-methylsulfanyl-1-(oxolan-3-yl)ethanamine
CID 63564188
N-methyl-1-(oxolan-3-yl)-2-(4-propan-2-ylphenyl)sulfanylethanamine
CID 104755241
N-methyl-1-(oxolan-3-yl)-2-propylsulfanylethanamine
CID 65129261

Frequently Asked Questions

What is the IUPAC name of 2-[2-(methylamino)-2-(oxolan-3-yl)ethyl]sulfanyl-4-propyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[2-(methylamino)-2-(oxolan-3-yl)ethyl]sulfanyl-4-propyl-1H-pyrimidin-6-one (CID 136913789) is 2-[2-(methylamino)-2-(oxolan-3-yl)ethyl]sulfanyl-4-propyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[2-(methylamino)-2-(oxolan-3-yl)ethyl]sulfanyl-4-propyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[2-(methylamino)-2-(oxolan-3-yl)ethyl]sulfanyl-4-propyl-1H-pyrimidin-6-one is CCCc1cc(=O)[nH]c(SCC(NC)C2CCOC2)n1.
What is the InChIKey of 2-[2-(methylamino)-2-(oxolan-3-yl)ethyl]sulfanyl-4-propyl-1H-pyrimidin-6-one?
The InChIKey is YSVWHZUHXFAMQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-3-4-11-7-13(18)17-14(16-11)20-9-12(15-2)10-5-6-19-8-10/h7,10,12,15H,3-6,8-9H2,1-2H3,(H,16,17,18).
What are the key properties of 2-[2-(methylamino)-2-(oxolan-3-yl)ethyl]sulfanyl-4-propyl-1H-pyrimidin-6-one?
2-[2-(methylamino)-2-(oxolan-3-yl)ethyl]sulfanyl-4-propyl-1H-pyrimidin-6-one has a molecular weight of 297.42 g/mol, XLogP of 1.44, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methylamino)-2-(oxolan-3-yl)ethyl]sulfanyl-4-propyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136913789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).