2-(6-chloro-5-propan-2-ylpyrimidin-4-yl)sulfanylethanol

C9H13ClN2OS — CID 63732912

IUPAC2-(6-chloro-5-propan-2-ylpyrimidin-4-yl)sulfanylethanol
SMILESCC(C)c1c(Cl)ncnc1SCCO
InChIInChI=1S/C9H13ClN2OS/c1-6(2)7-8(10)11-5-12-9(7)14-4-3-13/h5-6,13H,3-4H2,1-2H3
InChIKeyCURWGQZFTPYWHN-UHFFFAOYSA-N
MW232.74 g/mol
LogP2.34
Rot. Bonds4

About 2-(6-chloro-5-propan-2-ylpyrimidin-4-yl)sulfanylethanol

2-(6-chloro-5-propan-2-ylpyrimidin-4-yl)sulfanylethanol (PubChem CID 63732912) has the molecular formula C9H13ClN2OS and a molecular weight of 232.74 g/mol. Its IUPAC name is 2-(6-chloro-5-propan-2-ylpyrimidin-4-yl)sulfanylethanol.

Molecular Properties

Compound Name2-(6-chloro-5-propan-2-ylpyrimidin-4-yl)sulfanylethanol
PubChem CID63732912
Molecular FormulaC9H13ClN2OS
Molecular Weight232.74 g/mol
Exact Mass232.04
IUPAC Name2-(6-chloro-5-propan-2-ylpyrimidin-4-yl)sulfanylethanol
SMILESCC(C)c1c(Cl)ncnc1SCCO
InChIInChI=1S/C9H13ClN2OS/c1-6(2)7-8(10)11-5-12-9(7)14-4-3-13/h5-6,13H,3-4H2,1-2H3
InChIKeyCURWGQZFTPYWHN-UHFFFAOYSA-N
XLogP2.34
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.74
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-5-propan-2-ylpyrimidin-4-yl)sulfanylethanol?
The IUPAC name of 2-(6-chloro-5-propan-2-ylpyrimidin-4-yl)sulfanylethanol (CID 63732912) is 2-(6-chloro-5-propan-2-ylpyrimidin-4-yl)sulfanylethanol.
What is the SMILES notation for 2-(6-chloro-5-propan-2-ylpyrimidin-4-yl)sulfanylethanol?
The canonical SMILES for 2-(6-chloro-5-propan-2-ylpyrimidin-4-yl)sulfanylethanol is CC(C)c1c(Cl)ncnc1SCCO.
What is the InChIKey of 2-(6-chloro-5-propan-2-ylpyrimidin-4-yl)sulfanylethanol?
The InChIKey is CURWGQZFTPYWHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2OS/c1-6(2)7-8(10)11-5-12-9(7)14-4-3-13/h5-6,13H,3-4H2,1-2H3.
What are the key properties of 2-(6-chloro-5-propan-2-ylpyrimidin-4-yl)sulfanylethanol?
2-(6-chloro-5-propan-2-ylpyrimidin-4-yl)sulfanylethanol has a molecular weight of 232.74 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-5-propan-2-ylpyrimidin-4-yl)sulfanylethanol is sourced from PubChem (CID 63732912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).