[2-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-yl]methanol

C9H9N3OS — CID 118042481

IUPAC[2-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-yl]methanol
SMILESCc1nc(-c2nccc(CO)n2)cs1
InChIInChI=1S/C9H9N3OS/c1-6-11-8(5-14-6)9-10-3-2-7(4-13)12-9/h2-3,5,13H,4H2,1H3
InChIKeyXELKPLGFOBMKQQ-UHFFFAOYSA-N
MW207.26 g/mol
LogP1.40
Rot. Bonds2

About [2-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-yl]methanol

[2-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-yl]methanol (PubChem CID 118042481) has the molecular formula C9H9N3OS and a molecular weight of 207.26 g/mol. Its IUPAC name is [2-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-yl]methanol.

Molecular Properties

Compound Name[2-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-yl]methanol
PubChem CID118042481
Molecular FormulaC9H9N3OS
Molecular Weight207.26 g/mol
Exact Mass207.05
IUPAC Name[2-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-yl]methanol
SMILESCc1nc(-c2nccc(CO)n2)cs1
InChIInChI=1S/C9H9N3OS/c1-6-11-8(5-14-6)9-10-3-2-7(4-13)12-9/h2-3,5,13H,4H2,1H3
InChIKeyXELKPLGFOBMKQQ-UHFFFAOYSA-N
XLogP1.40
TPSA58.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-yl]methanol?
The IUPAC name of [2-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-yl]methanol (CID 118042481) is [2-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-yl]methanol.
What is the SMILES notation for [2-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-yl]methanol?
The canonical SMILES for [2-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-yl]methanol is Cc1nc(-c2nccc(CO)n2)cs1.
What is the InChIKey of [2-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-yl]methanol?
The InChIKey is XELKPLGFOBMKQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3OS/c1-6-11-8(5-14-6)9-10-3-2-7(4-13)12-9/h2-3,5,13H,4H2,1H3.
What are the key properties of [2-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-yl]methanol?
[2-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-yl]methanol has a molecular weight of 207.26 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-yl]methanol is sourced from PubChem (CID 118042481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).