2-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanyl-1-morpholin-4-ylethanone

C15H22N4O3S — CID 4098476

IUPAC2-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanyl-1-morpholin-4-ylethanone
SMILESCc1cc(N2CCOCC2)nc(SCC(=O)N2CCOCC2)n1
InChIInChI=1S/C15H22N4O3S/c1-12-10-13(18-2-6-21-7-3-18)17-15(16-12)23-11-14(20)19-4-8-22-9-5-19/h10H,2-9,11H2,1H3
InChIKeyUPBJZBWSBBGFEL-UHFFFAOYSA-N
MW338.43 g/mol
LogP0.57
Rot. Bonds4

About 2-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanyl-1-morpholin-4-ylethanone

2-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanyl-1-morpholin-4-ylethanone (PubChem CID 4098476) has the molecular formula C15H22N4O3S and a molecular weight of 338.43 g/mol. Its IUPAC name is 2-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanyl-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanyl-1-morpholin-4-ylethanone
PubChem CID4098476
Molecular FormulaC15H22N4O3S
Molecular Weight338.43 g/mol
Exact Mass338.14
IUPAC Name2-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanyl-1-morpholin-4-ylethanone
SMILESCc1cc(N2CCOCC2)nc(SCC(=O)N2CCOCC2)n1
InChIInChI=1S/C15H22N4O3S/c1-12-10-13(18-2-6-21-7-3-18)17-15(16-12)23-11-14(20)19-4-8-22-9-5-19/h10H,2-9,11H2,1H3
InChIKeyUPBJZBWSBBGFEL-UHFFFAOYSA-N
XLogP0.57
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanyl-1-morpholin-4-ylethanone?
The IUPAC name of 2-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanyl-1-morpholin-4-ylethanone (CID 4098476) is 2-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanyl-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanyl-1-morpholin-4-ylethanone?
The canonical SMILES for 2-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanyl-1-morpholin-4-ylethanone is Cc1cc(N2CCOCC2)nc(SCC(=O)N2CCOCC2)n1.
What is the InChIKey of 2-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanyl-1-morpholin-4-ylethanone?
The InChIKey is UPBJZBWSBBGFEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3S/c1-12-10-13(18-2-6-21-7-3-18)17-15(16-12)23-11-14(20)19-4-8-22-9-5-19/h10H,2-9,11H2,1H3.
What are the key properties of 2-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanyl-1-morpholin-4-ylethanone?
2-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanyl-1-morpholin-4-ylethanone has a molecular weight of 338.43 g/mol, XLogP of 0.57, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanyl-1-morpholin-4-ylethanone is sourced from PubChem (CID 4098476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).