(2R)-3-(6-chloro-2-methylpyrimidin-4-yl)sulfanylpropane-1,2-diol

C8H11ClN2O2S — CID 97049200

IUPAC(2R)-3-(6-chloro-2-methylpyrimidin-4-yl)sulfanylpropane-1,2-diol
SMILESCc1nc(Cl)cc(SC[C@H](O)CO)n1
InChIInChI=1S/C8H11ClN2O2S/c1-5-10-7(9)2-8(11-5)14-4-6(13)3-12/h2,6,12-13H,3-4H2,1H3/t6-/m1/s1
InChIKeyYHMGTXVOFIKOCJ-ZCFIWIBFSA-N
MW234.71 g/mol
LogP0.88
Rot. Bonds4

About (2R)-3-(6-chloro-2-methylpyrimidin-4-yl)sulfanylpropane-1,2-diol

(2R)-3-(6-chloro-2-methylpyrimidin-4-yl)sulfanylpropane-1,2-diol (PubChem CID 97049200) has the molecular formula C8H11ClN2O2S and a molecular weight of 234.71 g/mol. Its IUPAC name is (2R)-3-(6-chloro-2-methylpyrimidin-4-yl)sulfanylpropane-1,2-diol.

Molecular Properties

Compound Name(2R)-3-(6-chloro-2-methylpyrimidin-4-yl)sulfanylpropane-1,2-diol
PubChem CID97049200
Molecular FormulaC8H11ClN2O2S
Molecular Weight234.71 g/mol
Exact Mass234.02
IUPAC Name(2R)-3-(6-chloro-2-methylpyrimidin-4-yl)sulfanylpropane-1,2-diol
SMILESCc1nc(Cl)cc(SC[C@H](O)CO)n1
InChIInChI=1S/C8H11ClN2O2S/c1-5-10-7(9)2-8(11-5)14-4-6(13)3-12/h2,6,12-13H,3-4H2,1H3/t6-/m1/s1
InChIKeyYHMGTXVOFIKOCJ-ZCFIWIBFSA-N
XLogP0.88
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.71
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-3-(6-chloro-2-methylpyrimidin-4-yl)sulfanylpropane-1,2-diol?
The IUPAC name of (2R)-3-(6-chloro-2-methylpyrimidin-4-yl)sulfanylpropane-1,2-diol (CID 97049200) is (2R)-3-(6-chloro-2-methylpyrimidin-4-yl)sulfanylpropane-1,2-diol.
What is the SMILES notation for (2R)-3-(6-chloro-2-methylpyrimidin-4-yl)sulfanylpropane-1,2-diol?
The canonical SMILES for (2R)-3-(6-chloro-2-methylpyrimidin-4-yl)sulfanylpropane-1,2-diol is Cc1nc(Cl)cc(SC[C@H](O)CO)n1.
What is the InChIKey of (2R)-3-(6-chloro-2-methylpyrimidin-4-yl)sulfanylpropane-1,2-diol?
The InChIKey is YHMGTXVOFIKOCJ-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H11ClN2O2S/c1-5-10-7(9)2-8(11-5)14-4-6(13)3-12/h2,6,12-13H,3-4H2,1H3/t6-/m1/s1.
What are the key properties of (2R)-3-(6-chloro-2-methylpyrimidin-4-yl)sulfanylpropane-1,2-diol?
(2R)-3-(6-chloro-2-methylpyrimidin-4-yl)sulfanylpropane-1,2-diol has a molecular weight of 234.71 g/mol, XLogP of 0.88, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(6-chloro-2-methylpyrimidin-4-yl)sulfanylpropane-1,2-diol is sourced from PubChem (CID 97049200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).