[6-methyl-2-(4-methylthiomorpholin-3-yl)pyrimidin-4-yl]methanol

C11H17N3OS — CID 106445941

IUPAC[6-methyl-2-(4-methylthiomorpholin-3-yl)pyrimidin-4-yl]methanol
SMILESCc1cc(CO)nc(C2CSCCN2C)n1
InChIInChI=1S/C11H17N3OS/c1-8-5-9(6-15)13-11(12-8)10-7-16-4-3-14(10)2/h5,10,15H,3-4,6-7H2,1-2H3
InChIKeyKSNGQJNBALWODI-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.00
Rot. Bonds2

About [6-methyl-2-(4-methylthiomorpholin-3-yl)pyrimidin-4-yl]methanol

[6-methyl-2-(4-methylthiomorpholin-3-yl)pyrimidin-4-yl]methanol (PubChem CID 106445941) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is [6-methyl-2-(4-methylthiomorpholin-3-yl)pyrimidin-4-yl]methanol.

Molecular Properties

Compound Name[6-methyl-2-(4-methylthiomorpholin-3-yl)pyrimidin-4-yl]methanol
PubChem CID106445941
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name[6-methyl-2-(4-methylthiomorpholin-3-yl)pyrimidin-4-yl]methanol
SMILESCc1cc(CO)nc(C2CSCCN2C)n1
InChIInChI=1S/C11H17N3OS/c1-8-5-9(6-15)13-11(12-8)10-7-16-4-3-14(10)2/h5,10,15H,3-4,6-7H2,1-2H3
InChIKeyKSNGQJNBALWODI-UHFFFAOYSA-N
XLogP1.00
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [6-methyl-2-(4-methylthiomorpholin-3-yl)pyrimidin-4-yl]methanol?
The IUPAC name of [6-methyl-2-(4-methylthiomorpholin-3-yl)pyrimidin-4-yl]methanol (CID 106445941) is [6-methyl-2-(4-methylthiomorpholin-3-yl)pyrimidin-4-yl]methanol.
What is the SMILES notation for [6-methyl-2-(4-methylthiomorpholin-3-yl)pyrimidin-4-yl]methanol?
The canonical SMILES for [6-methyl-2-(4-methylthiomorpholin-3-yl)pyrimidin-4-yl]methanol is Cc1cc(CO)nc(C2CSCCN2C)n1.
What is the InChIKey of [6-methyl-2-(4-methylthiomorpholin-3-yl)pyrimidin-4-yl]methanol?
The InChIKey is KSNGQJNBALWODI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-8-5-9(6-15)13-11(12-8)10-7-16-4-3-14(10)2/h5,10,15H,3-4,6-7H2,1-2H3.
What are the key properties of [6-methyl-2-(4-methylthiomorpholin-3-yl)pyrimidin-4-yl]methanol?
[6-methyl-2-(4-methylthiomorpholin-3-yl)pyrimidin-4-yl]methanol has a molecular weight of 239.34 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methyl-2-(4-methylthiomorpholin-3-yl)pyrimidin-4-yl]methanol is sourced from PubChem (CID 106445941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).