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

C15H22N4O2S — CID 3536518

IUPAC2-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanyl-1-pyrrolidin-1-ylethanone
SMILESCc1cc(N2CCOCC2)nc(SCC(=O)N2CCCC2)n1
InChIInChI=1S/C15H22N4O2S/c1-12-10-13(18-6-8-21-9-7-18)17-15(16-12)22-11-14(20)19-4-2-3-5-19/h10H,2-9,11H2,1H3
InChIKeySARKAMHMBWCQDO-UHFFFAOYSA-N
MW322.43 g/mol
LogP1.34
Rot. Bonds4

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

2-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanyl-1-pyrrolidin-1-ylethanone (PubChem CID 3536518) has the molecular formula C15H22N4O2S and a molecular weight of 322.43 g/mol. Its IUPAC name is 2-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanyl-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanyl-1-pyrrolidin-1-ylethanone
PubChem CID3536518
Molecular FormulaC15H22N4O2S
Molecular Weight322.43 g/mol
Exact Mass322.15
IUPAC Name2-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanyl-1-pyrrolidin-1-ylethanone
SMILESCc1cc(N2CCOCC2)nc(SCC(=O)N2CCCC2)n1
InChIInChI=1S/C15H22N4O2S/c1-12-10-13(18-6-8-21-9-7-18)17-15(16-12)22-11-14(20)19-4-2-3-5-19/h10H,2-9,11H2,1H3
InChIKeySARKAMHMBWCQDO-UHFFFAOYSA-N
XLogP1.34
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanyl-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanyl-1-pyrrolidin-1-ylethanone (CID 3536518) is 2-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanyl-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanyl-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanyl-1-pyrrolidin-1-ylethanone is Cc1cc(N2CCOCC2)nc(SCC(=O)N2CCCC2)n1.
What is the InChIKey of 2-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanyl-1-pyrrolidin-1-ylethanone?
The InChIKey is SARKAMHMBWCQDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2S/c1-12-10-13(18-6-8-21-9-7-18)17-15(16-12)22-11-14(20)19-4-2-3-5-19/h10H,2-9,11H2,1H3.
What are the key properties of 2-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanyl-1-pyrrolidin-1-ylethanone?
2-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanyl-1-pyrrolidin-1-ylethanone has a molecular weight of 322.43 g/mol, XLogP of 1.34, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanyl-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 3536518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).