2-cyclopropyl-4-(2,6-dimethylthiomorpholin-4-yl)-1H-pyrimidin-6-one

C13H19N3OS — CID 137009710

IUPAC2-cyclopropyl-4-(2,6-dimethylthiomorpholin-4-yl)-1H-pyrimidin-6-one
SMILESCC1CN(c2cc(=O)[nH]c(C3CC3)n2)CC(C)S1
InChIInChI=1S/C13H19N3OS/c1-8-6-16(7-9(2)18-8)11-5-12(17)15-13(14-11)10-3-4-10/h5,8-10H,3-4,6-7H2,1-2H3,(H,14,15,17)
InChIKeyDFCDMZXFQAMYFO-UHFFFAOYSA-N
MW265.38 g/mol
LogP1.98
Rot. Bonds2

About 2-cyclopropyl-4-(2,6-dimethylthiomorpholin-4-yl)-1H-pyrimidin-6-one

2-cyclopropyl-4-(2,6-dimethylthiomorpholin-4-yl)-1H-pyrimidin-6-one (PubChem CID 137009710) has the molecular formula C13H19N3OS and a molecular weight of 265.38 g/mol. Its IUPAC name is 2-cyclopropyl-4-(2,6-dimethylthiomorpholin-4-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-(2,6-dimethylthiomorpholin-4-yl)-1H-pyrimidin-6-one
PubChem CID137009710
Molecular FormulaC13H19N3OS
Molecular Weight265.38 g/mol
Exact Mass265.12
IUPAC Name2-cyclopropyl-4-(2,6-dimethylthiomorpholin-4-yl)-1H-pyrimidin-6-one
SMILESCC1CN(c2cc(=O)[nH]c(C3CC3)n2)CC(C)S1
InChIInChI=1S/C13H19N3OS/c1-8-6-16(7-9(2)18-8)11-5-12(17)15-13(14-11)10-3-4-10/h5,8-10H,3-4,6-7H2,1-2H3,(H,14,15,17)
InChIKeyDFCDMZXFQAMYFO-UHFFFAOYSA-N
XLogP1.98
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-4-(4-hydroxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136961769
2-cyclopropyl-4-(2-methylmorpholin-4-yl)-1H-pyrimidin-6-one
CID 137008986
2-cyclopropyl-4-(3-ethylpyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 137009930
2-[1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)azetidin-3-yl]acetic acid
CID 136959028
2-cyclopropyl-4-(4-methyl-1,4-diazepan-1-yl)-1H-pyrimidin-6-one
CID 136989892
1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-1,4-diazepan-5-one
CID 137009553
2-cyclopropyl-4-[3-(methoxymethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 137009758
2-cyclopropyl-4-(3-oxopiperazin-1-yl)-1H-pyrimidin-6-one
CID 137008995
2-cyclopropyl-4-(2-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 137258814
2-cyclopropyl-4-[3-(methoxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136821998
2-cyclopropyl-4-(4-ethylazepan-1-yl)-1H-pyrimidin-6-one
CID 137009763
2-cyclopropyl-4-pyrazol-1-yl-1H-pyrimidin-6-one
CID 137013285

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-(2,6-dimethylthiomorpholin-4-yl)-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-(2,6-dimethylthiomorpholin-4-yl)-1H-pyrimidin-6-one (CID 137009710) is 2-cyclopropyl-4-(2,6-dimethylthiomorpholin-4-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-(2,6-dimethylthiomorpholin-4-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-(2,6-dimethylthiomorpholin-4-yl)-1H-pyrimidin-6-one is CC1CN(c2cc(=O)[nH]c(C3CC3)n2)CC(C)S1.
What is the InChIKey of 2-cyclopropyl-4-(2,6-dimethylthiomorpholin-4-yl)-1H-pyrimidin-6-one?
The InChIKey is DFCDMZXFQAMYFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3OS/c1-8-6-16(7-9(2)18-8)11-5-12(17)15-13(14-11)10-3-4-10/h5,8-10H,3-4,6-7H2,1-2H3,(H,14,15,17).
What are the key properties of 2-cyclopropyl-4-(2,6-dimethylthiomorpholin-4-yl)-1H-pyrimidin-6-one?
2-cyclopropyl-4-(2,6-dimethylthiomorpholin-4-yl)-1H-pyrimidin-6-one has a molecular weight of 265.38 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-(2,6-dimethylthiomorpholin-4-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 137009710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).