3-butyl-6-methyl-2-thiomorpholin-4-ylpyrimidin-4-one

C13H21N3OS — CID 53200971

IUPAC3-butyl-6-methyl-2-thiomorpholin-4-ylpyrimidin-4-one
SMILESCCCCn1c(N2CCSCC2)nc(C)cc1=O
InChIInChI=1S/C13H21N3OS/c1-3-4-5-16-12(17)10-11(2)14-13(16)15-6-8-18-9-7-15/h10H,3-9H2,1-2H3
InChIKeyQUKOELWXXLWFKH-UHFFFAOYSA-N
MW267.40 g/mol
LogP1.91
Rot. Bonds4

About 3-butyl-6-methyl-2-thiomorpholin-4-ylpyrimidin-4-one

3-butyl-6-methyl-2-thiomorpholin-4-ylpyrimidin-4-one (PubChem CID 53200971) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is 3-butyl-6-methyl-2-thiomorpholin-4-ylpyrimidin-4-one.

Molecular Properties

Compound Name3-butyl-6-methyl-2-thiomorpholin-4-ylpyrimidin-4-one
PubChem CID53200971
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC Name3-butyl-6-methyl-2-thiomorpholin-4-ylpyrimidin-4-one
SMILESCCCCn1c(N2CCSCC2)nc(C)cc1=O
InChIInChI=1S/C13H21N3OS/c1-3-4-5-16-12(17)10-11(2)14-13(16)15-6-8-18-9-7-15/h10H,3-9H2,1-2H3
InChIKeyQUKOELWXXLWFKH-UHFFFAOYSA-N
XLogP1.91
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-Ethyl-6-methyl-2-piperidin-1-ylpyrimidin-4-one
CID 30322567
6-Methyl-2-piperidin-1-yl-3-propylpyrimidin-4-one
CID 30322571
3-Butyl-6-methyl-2-piperidin-1-ylpyrimidin-4-one
CID 30322600
6-Methyl-3-pentyl-2-piperidin-1-ylpyrimidin-4-one
CID 30322604
3-allyl-6-methyl-2-(1,4-thiazinan-4-yl)-4(3H)-pyrimidinone
CID 53200972
2-[4-Methyl-6-oxo-2-(thiomorpholin-4-YL)-1,6-dihydropyrimidin-1-YL]acetonitrile
CID 53200975
3-(2-ethoxyethyl)-6-methyl-2-(1,4-thiazinan-4-yl)-4(3H)-pyrimidinone
CID 53200976
3-(3-Ethylsulfanylpropyl)-6-methylpyrimidin-4-one
CID 103867560
6-Methyl-2-(thiomorpholin-4-yl)pyrimidin-4-ol
CID 135630704
N'-(4-methyl-6-oxo-1H-pyrimidin-2-yl)thiomorpholine-4-carboximidamide
CID 136159814
2-(4-acetylpiperazin-1-yl)-4-(propan-2-ylsulfanylmethyl)-1H-pyrimidin-6-one
CID 136780049
2-(4-ethylpiperazin-1-yl)-4-(propan-2-ylsulfanylmethyl)-1H-pyrimidin-6-one
CID 136780320

Frequently Asked Questions

What is the IUPAC name of 3-butyl-6-methyl-2-thiomorpholin-4-ylpyrimidin-4-one?
The IUPAC name of 3-butyl-6-methyl-2-thiomorpholin-4-ylpyrimidin-4-one (CID 53200971) is 3-butyl-6-methyl-2-thiomorpholin-4-ylpyrimidin-4-one.
What is the SMILES notation for 3-butyl-6-methyl-2-thiomorpholin-4-ylpyrimidin-4-one?
The canonical SMILES for 3-butyl-6-methyl-2-thiomorpholin-4-ylpyrimidin-4-one is CCCCn1c(N2CCSCC2)nc(C)cc1=O.
What is the InChIKey of 3-butyl-6-methyl-2-thiomorpholin-4-ylpyrimidin-4-one?
The InChIKey is QUKOELWXXLWFKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-3-4-5-16-12(17)10-11(2)14-13(16)15-6-8-18-9-7-15/h10H,3-9H2,1-2H3.
What are the key properties of 3-butyl-6-methyl-2-thiomorpholin-4-ylpyrimidin-4-one?
3-butyl-6-methyl-2-thiomorpholin-4-ylpyrimidin-4-one has a molecular weight of 267.40 g/mol, XLogP of 1.91, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-6-methyl-2-thiomorpholin-4-ylpyrimidin-4-one is sourced from PubChem (CID 53200971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).