4-(4-methylsulfanyl-6-morpholin-4-ylpyrimidin-2-yl)morpholine

C13H20N4O2S — CID 12994970

IUPAC4-(4-methylsulfanyl-6-morpholin-4-ylpyrimidin-2-yl)morpholine
SMILESCSc1cc(N2CCOCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C13H20N4O2S/c1-20-12-10-11(16-2-6-18-7-3-16)14-13(15-12)17-4-8-19-9-5-17/h10H,2-9H2,1H3
InChIKeyHQUAPFWJBXUWMF-UHFFFAOYSA-N
MW296.40 g/mol
LogP0.87
Rot. Bonds3

About 4-(4-methylsulfanyl-6-morpholin-4-ylpyrimidin-2-yl)morpholine

4-(4-methylsulfanyl-6-morpholin-4-ylpyrimidin-2-yl)morpholine (PubChem CID 12994970) has the molecular formula C13H20N4O2S and a molecular weight of 296.40 g/mol. Its IUPAC name is 4-(4-methylsulfanyl-6-morpholin-4-ylpyrimidin-2-yl)morpholine.

Molecular Properties

Compound Name4-(4-methylsulfanyl-6-morpholin-4-ylpyrimidin-2-yl)morpholine
PubChem CID12994970
Molecular FormulaC13H20N4O2S
Molecular Weight296.40 g/mol
Exact Mass296.13
IUPAC Name4-(4-methylsulfanyl-6-morpholin-4-ylpyrimidin-2-yl)morpholine
SMILESCSc1cc(N2CCOCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C13H20N4O2S/c1-20-12-10-11(16-2-6-18-7-3-16)14-13(15-12)17-4-8-19-9-5-17/h10H,2-9H2,1H3
InChIKeyHQUAPFWJBXUWMF-UHFFFAOYSA-N
XLogP0.87
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-ethyl-2-(methylsulfanyl)-6-morpholino-4-pyrimidinamine
CID 1488170
Acetic acid, ((6-(4-morpholinyl)-4-pyrimidinyl)thio)-, methyl ester
CID 3024453
4-[2-(Methylsulfanyl)-6-morpholino-4-pyrimidinyl]morpholine
CID 1484531
2-(2-Morpholin-4-ylethylthio)pyrimidine-4,6-diamine
CID 864592
(3R)-4-[6-(4,4-difluoropiperidin-1-yl)-2-methylsulfanylpyrimidin-4-yl]-3-methylmorpholine
CID 137550564
4-(2-Methyl-6-morpholin-4-ylpyrimidin-4-yl)morpholine
CID 4170882
2-(Methylsulfanyl)-6-(morpholin-4-yl)pyrimidin-4-amine
CID 10036647
N,N-dimethyl-2-methylsulfinyl-6-morpholin-4-ylpyrimidin-4-amine
CID 58320423
N,N-dimethyl-2-methylsulfanyl-6-morpholin-4-ylpyrimidin-4-amine
CID 58320454
4-(2-Methyl-6-methylsulfanylpyrimidin-4-yl)morpholine
CID 59333829
2-Methyl-6-(2-morpholin-4-ylethylsulfanyl)pyrimidin-4-amine
CID 69104205
2-methyl-6-[6-[(3R)-3-methylmorpholin-4-yl]-2-methylsulfonylpyrimidin-4-yl]-1,2,6-thiadiazinane 1,1-dioxide
CID 137498326

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylsulfanyl-6-morpholin-4-ylpyrimidin-2-yl)morpholine?
The IUPAC name of 4-(4-methylsulfanyl-6-morpholin-4-ylpyrimidin-2-yl)morpholine (CID 12994970) is 4-(4-methylsulfanyl-6-morpholin-4-ylpyrimidin-2-yl)morpholine.
What is the SMILES notation for 4-(4-methylsulfanyl-6-morpholin-4-ylpyrimidin-2-yl)morpholine?
The canonical SMILES for 4-(4-methylsulfanyl-6-morpholin-4-ylpyrimidin-2-yl)morpholine is CSc1cc(N2CCOCC2)nc(N2CCOCC2)n1.
What is the InChIKey of 4-(4-methylsulfanyl-6-morpholin-4-ylpyrimidin-2-yl)morpholine?
The InChIKey is HQUAPFWJBXUWMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2S/c1-20-12-10-11(16-2-6-18-7-3-16)14-13(15-12)17-4-8-19-9-5-17/h10H,2-9H2,1H3.
What are the key properties of 4-(4-methylsulfanyl-6-morpholin-4-ylpyrimidin-2-yl)morpholine?
4-(4-methylsulfanyl-6-morpholin-4-ylpyrimidin-2-yl)morpholine has a molecular weight of 296.40 g/mol, XLogP of 0.87, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylsulfanyl-6-morpholin-4-ylpyrimidin-2-yl)morpholine is sourced from PubChem (CID 12994970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).