(5-chloro-2-methylsulfanylpyrimidin-4-yl)-phenylmethanol

C12H11ClN2OS — CID 11097502

IUPAC(5-chloro-2-methylsulfanylpyrimidin-4-yl)-phenylmethanol
SMILESCSc1ncc(Cl)c(C(O)c2ccccc2)n1
InChIInChI=1S/C12H11ClN2OS/c1-17-12-14-7-9(13)10(15-12)11(16)8-5-3-2-4-6-8/h2-7,11,16H,1H3
InChIKeyDRJNVBGTVFRADG-UHFFFAOYSA-N
MW266.75 g/mol
LogP2.93
Rot. Bonds3

About (5-chloro-2-methylsulfanylpyrimidin-4-yl)-phenylmethanol

(5-chloro-2-methylsulfanylpyrimidin-4-yl)-phenylmethanol (PubChem CID 11097502) has the molecular formula C12H11ClN2OS and a molecular weight of 266.75 g/mol. Its IUPAC name is (5-chloro-2-methylsulfanylpyrimidin-4-yl)-phenylmethanol.

Molecular Properties

Compound Name(5-chloro-2-methylsulfanylpyrimidin-4-yl)-phenylmethanol
PubChem CID11097502
Molecular FormulaC12H11ClN2OS
Molecular Weight266.75 g/mol
Exact Mass266.03
IUPAC Name(5-chloro-2-methylsulfanylpyrimidin-4-yl)-phenylmethanol
SMILESCSc1ncc(Cl)c(C(O)c2ccccc2)n1
InChIInChI=1S/C12H11ClN2OS/c1-17-12-14-7-9(13)10(15-12)11(16)8-5-3-2-4-6-8/h2-7,11,16H,1H3
InChIKeyDRJNVBGTVFRADG-UHFFFAOYSA-N
XLogP2.93
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.75
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-methylsulfanylpyrimidin-4-yl)-phenylmethanol?
The IUPAC name of (5-chloro-2-methylsulfanylpyrimidin-4-yl)-phenylmethanol (CID 11097502) is (5-chloro-2-methylsulfanylpyrimidin-4-yl)-phenylmethanol.
What is the SMILES notation for (5-chloro-2-methylsulfanylpyrimidin-4-yl)-phenylmethanol?
The canonical SMILES for (5-chloro-2-methylsulfanylpyrimidin-4-yl)-phenylmethanol is CSc1ncc(Cl)c(C(O)c2ccccc2)n1.
What is the InChIKey of (5-chloro-2-methylsulfanylpyrimidin-4-yl)-phenylmethanol?
The InChIKey is DRJNVBGTVFRADG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2OS/c1-17-12-14-7-9(13)10(15-12)11(16)8-5-3-2-4-6-8/h2-7,11,16H,1H3.
What are the key properties of (5-chloro-2-methylsulfanylpyrimidin-4-yl)-phenylmethanol?
(5-chloro-2-methylsulfanylpyrimidin-4-yl)-phenylmethanol has a molecular weight of 266.75 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-methylsulfanylpyrimidin-4-yl)-phenylmethanol is sourced from PubChem (CID 11097502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).