2-methyl-2-(methylamino)-3-(4-methylpyrimidin-2-yl)sulfanylpropan-1-ol

C10H17N3OS — CID 64807954

IUPAC2-methyl-2-(methylamino)-3-(4-methylpyrimidin-2-yl)sulfanylpropan-1-ol
SMILESCNC(C)(CO)CSc1nccc(C)n1
InChIInChI=1S/C10H17N3OS/c1-8-4-5-12-9(13-8)15-7-10(2,6-14)11-3/h4-5,11,14H,6-7H2,1-3H3
InChIKeyQIWWLUIMMJMUOF-UHFFFAOYSA-N
MW227.33 g/mol
LogP0.85
Rot. Bonds5

About 2-methyl-2-(methylamino)-3-(4-methylpyrimidin-2-yl)sulfanylpropan-1-ol

2-methyl-2-(methylamino)-3-(4-methylpyrimidin-2-yl)sulfanylpropan-1-ol (PubChem CID 64807954) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is 2-methyl-2-(methylamino)-3-(4-methylpyrimidin-2-yl)sulfanylpropan-1-ol.

Molecular Properties

Compound Name2-methyl-2-(methylamino)-3-(4-methylpyrimidin-2-yl)sulfanylpropan-1-ol
PubChem CID64807954
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name2-methyl-2-(methylamino)-3-(4-methylpyrimidin-2-yl)sulfanylpropan-1-ol
SMILESCNC(C)(CO)CSc1nccc(C)n1
InChIInChI=1S/C10H17N3OS/c1-8-4-5-12-9(13-8)15-7-10(2,6-14)11-3/h4-5,11,14H,6-7H2,1-3H3
InChIKeyQIWWLUIMMJMUOF-UHFFFAOYSA-N
XLogP0.85
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(methylamino)-3-(4-methylpyrimidin-2-yl)sulfanylpropan-1-ol?
The IUPAC name of 2-methyl-2-(methylamino)-3-(4-methylpyrimidin-2-yl)sulfanylpropan-1-ol (CID 64807954) is 2-methyl-2-(methylamino)-3-(4-methylpyrimidin-2-yl)sulfanylpropan-1-ol.
What is the SMILES notation for 2-methyl-2-(methylamino)-3-(4-methylpyrimidin-2-yl)sulfanylpropan-1-ol?
The canonical SMILES for 2-methyl-2-(methylamino)-3-(4-methylpyrimidin-2-yl)sulfanylpropan-1-ol is CNC(C)(CO)CSc1nccc(C)n1.
What is the InChIKey of 2-methyl-2-(methylamino)-3-(4-methylpyrimidin-2-yl)sulfanylpropan-1-ol?
The InChIKey is QIWWLUIMMJMUOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-8-4-5-12-9(13-8)15-7-10(2,6-14)11-3/h4-5,11,14H,6-7H2,1-3H3.
What are the key properties of 2-methyl-2-(methylamino)-3-(4-methylpyrimidin-2-yl)sulfanylpropan-1-ol?
2-methyl-2-(methylamino)-3-(4-methylpyrimidin-2-yl)sulfanylpropan-1-ol has a molecular weight of 227.33 g/mol, XLogP of 0.85, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(methylamino)-3-(4-methylpyrimidin-2-yl)sulfanylpropan-1-ol is sourced from PubChem (CID 64807954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).