[4-chloro-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-5-yl]methanol

C9H8ClN3O2S — CID 106926916

IUPAC[4-chloro-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-5-yl]methanol
SMILESCc1coc(Sc2ncnc(Cl)c2CO)n1
InChIInChI=1S/C9H8ClN3O2S/c1-5-3-15-9(13-5)16-8-6(2-14)7(10)11-4-12-8/h3-4,14H,2H2,1H3
InChIKeyXBCXUSDJHXUEHX-UHFFFAOYSA-N
MW257.70 g/mol
LogP2.07
Rot. Bonds3

About [4-chloro-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-5-yl]methanol

[4-chloro-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-5-yl]methanol (PubChem CID 106926916) has the molecular formula C9H8ClN3O2S and a molecular weight of 257.70 g/mol. Its IUPAC name is [4-chloro-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-5-yl]methanol.

Molecular Properties

Compound Name[4-chloro-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-5-yl]methanol
PubChem CID106926916
Molecular FormulaC9H8ClN3O2S
Molecular Weight257.70 g/mol
Exact Mass257.00
IUPAC Name[4-chloro-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-5-yl]methanol
SMILESCc1coc(Sc2ncnc(Cl)c2CO)n1
InChIInChI=1S/C9H8ClN3O2S/c1-5-3-15-9(13-5)16-8-6(2-14)7(10)11-4-12-8/h3-4,14H,2H2,1H3
InChIKeyXBCXUSDJHXUEHX-UHFFFAOYSA-N
XLogP2.07
TPSA72.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.70
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(6-chloro-5-ethylpyrimidin-4-yl)sulfanyl-5-methyl-1,3,4-oxadiazole
CID 63732079
5-bromo-N-ethyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-4-amine
CID 114073937
[4-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-3-pyridinyl]methanamine
CID 106923724
[4-chloro-6-(1H-imidazol-2-ylsulfanyl)pyrimidin-5-yl]methanol
CID 107783386
5-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-2-amine
CID 106928532
3-[6-chloro-5-(hydroxymethyl)pyrimidin-4-yl]sulfanylbutan-2-ol
CID 107772308
[2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinolin-3-yl]methanol
CID 106926902
[3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrazin-2-yl]methanamine
CID 106923706
5-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-N-propylpyrimidin-2-amine
CID 106928450
2-(3-chloropropylsulfanyl)-4-methyl-1,3-oxazole
CID 106920998
[4-chloro-6-[(2-chlorophenyl)methylsulfanyl]pyrimidin-5-yl]methanol
CID 103290812
5-bromo-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyridin-3-amine
CID 106921576

Frequently Asked Questions

What is the IUPAC name of [4-chloro-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-5-yl]methanol?
The IUPAC name of [4-chloro-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-5-yl]methanol (CID 106926916) is [4-chloro-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-5-yl]methanol.
What is the SMILES notation for [4-chloro-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-5-yl]methanol?
The canonical SMILES for [4-chloro-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-5-yl]methanol is Cc1coc(Sc2ncnc(Cl)c2CO)n1.
What is the InChIKey of [4-chloro-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-5-yl]methanol?
The InChIKey is XBCXUSDJHXUEHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3O2S/c1-5-3-15-9(13-5)16-8-6(2-14)7(10)11-4-12-8/h3-4,14H,2H2,1H3.
What are the key properties of [4-chloro-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-5-yl]methanol?
[4-chloro-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-5-yl]methanol has a molecular weight of 257.70 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-5-yl]methanol is sourced from PubChem (CID 106926916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).