(4-chloro-6-methoxy-2-methylsulfanylpyrimidin-5-yl)methanol

C7H9ClN2O2S — CID 130899452

IUPAC(4-chloro-6-methoxy-2-methylsulfanylpyrimidin-5-yl)methanol
SMILESCOc1nc(SC)nc(Cl)c1CO
InChIInChI=1S/C7H9ClN2O2S/c1-12-6-4(3-11)5(8)9-7(10-6)13-2/h11H,3H2,1-2H3
InChIKeySFKJTHOSDLPQKO-UHFFFAOYSA-N
MW220.68 g/mol
LogP1.35
Rot. Bonds3

About (4-chloro-6-methoxy-2-methylsulfanylpyrimidin-5-yl)methanol

(4-chloro-6-methoxy-2-methylsulfanylpyrimidin-5-yl)methanol (PubChem CID 130899452) has the molecular formula C7H9ClN2O2S and a molecular weight of 220.68 g/mol. Its IUPAC name is (4-chloro-6-methoxy-2-methylsulfanylpyrimidin-5-yl)methanol.

Molecular Properties

Compound Name(4-chloro-6-methoxy-2-methylsulfanylpyrimidin-5-yl)methanol
PubChem CID130899452
Molecular FormulaC7H9ClN2O2S
Molecular Weight220.68 g/mol
Exact Mass220.01
IUPAC Name(4-chloro-6-methoxy-2-methylsulfanylpyrimidin-5-yl)methanol
SMILESCOc1nc(SC)nc(Cl)c1CO
InChIInChI=1S/C7H9ClN2O2S/c1-12-6-4(3-11)5(8)9-7(10-6)13-2/h11H,3H2,1-2H3
InChIKeySFKJTHOSDLPQKO-UHFFFAOYSA-N
XLogP1.35
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.68
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-chloro-6-methyl-2-methylsulfanylpyrimidin-5-yl)methanol
CID 88942303
4,6-dichloro-5-methoxy-2-methylsulfanylpyrimidine
CID 15003627
4-chloro-5-methoxy-6-methyl-2-methylsulfanylpyrimidine
CID 118020221
6-chloro-5-ethyl-2-methylsulfanylpyrimidin-4-amine
CID 71303951
5-bromo-6-methoxy-2-methylsulfanylpyrimidin-4-amine
CID 83867203
3-(4,6-dichloro-2-methylsulfanylpyrimidin-5-yl)propylcarbamic acid
CID 174191947
[4-chloro-6-(difluoromethyl)-2-methoxy-3-pyridinyl]methanol
CID 118822488
methyl 5,6-dimethoxy-2-methylsulfanylpyrimidine-4-carboxylate
CID 11564995
4-chloro-6,7-dimethoxy-2-methylsulfanylquinazoline
CID 114693063
4,6-dimethoxy-2-methylsulfanyl-5-phenylpyrimidine
CID 139072516
5-chloro-6-ethoxy-3-methylsulfanyl-1,2,4-triazine
CID 142632166
4-butylsulfanyl-6-chloro-5-[(4-methoxyphenyl)methyl]-2-methylsulfanylpyrimidine
CID 146154392

Frequently Asked Questions

What is the IUPAC name of (4-chloro-6-methoxy-2-methylsulfanylpyrimidin-5-yl)methanol?
The IUPAC name of (4-chloro-6-methoxy-2-methylsulfanylpyrimidin-5-yl)methanol (CID 130899452) is (4-chloro-6-methoxy-2-methylsulfanylpyrimidin-5-yl)methanol.
What is the SMILES notation for (4-chloro-6-methoxy-2-methylsulfanylpyrimidin-5-yl)methanol?
The canonical SMILES for (4-chloro-6-methoxy-2-methylsulfanylpyrimidin-5-yl)methanol is COc1nc(SC)nc(Cl)c1CO.
What is the InChIKey of (4-chloro-6-methoxy-2-methylsulfanylpyrimidin-5-yl)methanol?
The InChIKey is SFKJTHOSDLPQKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2O2S/c1-12-6-4(3-11)5(8)9-7(10-6)13-2/h11H,3H2,1-2H3.
What are the key properties of (4-chloro-6-methoxy-2-methylsulfanylpyrimidin-5-yl)methanol?
(4-chloro-6-methoxy-2-methylsulfanylpyrimidin-5-yl)methanol has a molecular weight of 220.68 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-6-methoxy-2-methylsulfanylpyrimidin-5-yl)methanol is sourced from PubChem (CID 130899452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).