[4-(6-methyl-2-methylsulfanylpyrimidin-4-yl)morpholin-2-yl]-thiomorpholin-4-ylmethanone

C15H22N4O2S2 — CID 155800091

IUPAC[4-(6-methyl-2-methylsulfanylpyrimidin-4-yl)morpholin-2-yl]-thiomorpholin-4-ylmethanone
SMILESCSc1nc(C)cc(N2CCOC(C(=O)N3CCSCC3)C2)n1
InChIInChI=1S/C15H22N4O2S2/c1-11-9-13(17-15(16-11)22-2)19-3-6-21-12(10-19)14(20)18-4-7-23-8-5-18/h9,12H,3-8,10H2,1-2H3
InChIKeyPEZAOQQIRPDMNW-UHFFFAOYSA-N
MW354.50 g/mol
LogP1.29
Rot. Bonds3

About [4-(6-methyl-2-methylsulfanylpyrimidin-4-yl)morpholin-2-yl]-thiomorpholin-4-ylmethanone

[4-(6-methyl-2-methylsulfanylpyrimidin-4-yl)morpholin-2-yl]-thiomorpholin-4-ylmethanone (PubChem CID 155800091) has the molecular formula C15H22N4O2S2 and a molecular weight of 354.50 g/mol. Its IUPAC name is [4-(6-methyl-2-methylsulfanylpyrimidin-4-yl)morpholin-2-yl]-thiomorpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-(6-methyl-2-methylsulfanylpyrimidin-4-yl)morpholin-2-yl]-thiomorpholin-4-ylmethanone
PubChem CID155800091
Molecular FormulaC15H22N4O2S2
Molecular Weight354.50 g/mol
Exact Mass354.12
IUPAC Name[4-(6-methyl-2-methylsulfanylpyrimidin-4-yl)morpholin-2-yl]-thiomorpholin-4-ylmethanone
SMILESCSc1nc(C)cc(N2CCOC(C(=O)N3CCSCC3)C2)n1
InChIInChI=1S/C15H22N4O2S2/c1-11-9-13(17-15(16-11)22-2)19-3-6-21-12(10-19)14(20)18-4-7-23-8-5-18/h9,12H,3-8,10H2,1-2H3
InChIKeyPEZAOQQIRPDMNW-UHFFFAOYSA-N
XLogP1.29
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-(6-methyl-2-methylsulfanylpyrimidin-4-yl)morpholin-2-yl]-thiomorpholin-4-ylmethanone?
The IUPAC name of [4-(6-methyl-2-methylsulfanylpyrimidin-4-yl)morpholin-2-yl]-thiomorpholin-4-ylmethanone (CID 155800091) is [4-(6-methyl-2-methylsulfanylpyrimidin-4-yl)morpholin-2-yl]-thiomorpholin-4-ylmethanone.
What is the SMILES notation for [4-(6-methyl-2-methylsulfanylpyrimidin-4-yl)morpholin-2-yl]-thiomorpholin-4-ylmethanone?
The canonical SMILES for [4-(6-methyl-2-methylsulfanylpyrimidin-4-yl)morpholin-2-yl]-thiomorpholin-4-ylmethanone is CSc1nc(C)cc(N2CCOC(C(=O)N3CCSCC3)C2)n1.
What is the InChIKey of [4-(6-methyl-2-methylsulfanylpyrimidin-4-yl)morpholin-2-yl]-thiomorpholin-4-ylmethanone?
The InChIKey is PEZAOQQIRPDMNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2S2/c1-11-9-13(17-15(16-11)22-2)19-3-6-21-12(10-19)14(20)18-4-7-23-8-5-18/h9,12H,3-8,10H2,1-2H3.
What are the key properties of [4-(6-methyl-2-methylsulfanylpyrimidin-4-yl)morpholin-2-yl]-thiomorpholin-4-ylmethanone?
[4-(6-methyl-2-methylsulfanylpyrimidin-4-yl)morpholin-2-yl]-thiomorpholin-4-ylmethanone has a molecular weight of 354.50 g/mol, XLogP of 1.29, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-methyl-2-methylsulfanylpyrimidin-4-yl)morpholin-2-yl]-thiomorpholin-4-ylmethanone is sourced from PubChem (CID 155800091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).