[4-chloro-6-(1H-imidazol-2-ylsulfanyl)pyrimidin-5-yl]methanol

C8H7ClN4OS — CID 107783386

IUPAC[4-chloro-6-(1H-imidazol-2-ylsulfanyl)pyrimidin-5-yl]methanol
SMILESOCc1c(Cl)ncnc1Sc1ncc[nH]1
InChIInChI=1S/C8H7ClN4OS/c9-6-5(3-14)7(13-4-12-6)15-8-10-1-2-11-8/h1-2,4,14H,3H2,(H,10,11)
InChIKeyOYUWHKKJJWTCEE-UHFFFAOYSA-N
MW242.69 g/mol
LogP1.50
Rot. Bonds3

About [4-chloro-6-(1H-imidazol-2-ylsulfanyl)pyrimidin-5-yl]methanol

[4-chloro-6-(1H-imidazol-2-ylsulfanyl)pyrimidin-5-yl]methanol (PubChem CID 107783386) has the molecular formula C8H7ClN4OS and a molecular weight of 242.69 g/mol. Its IUPAC name is [4-chloro-6-(1H-imidazol-2-ylsulfanyl)pyrimidin-5-yl]methanol.

Molecular Properties

Compound Name[4-chloro-6-(1H-imidazol-2-ylsulfanyl)pyrimidin-5-yl]methanol
PubChem CID107783386
Molecular FormulaC8H7ClN4OS
Molecular Weight242.69 g/mol
Exact Mass242.00
IUPAC Name[4-chloro-6-(1H-imidazol-2-ylsulfanyl)pyrimidin-5-yl]methanol
SMILESOCc1c(Cl)ncnc1Sc1ncc[nH]1
InChIInChI=1S/C8H7ClN4OS/c9-6-5(3-14)7(13-4-12-6)15-8-10-1-2-11-8/h1-2,4,14H,3H2,(H,10,11)
InChIKeyOYUWHKKJJWTCEE-UHFFFAOYSA-N
XLogP1.50
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.69
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-3-(1H-imidazol-2-ylsulfanyl)pyrazine
CID 107780754
N-ethyl-6-(1H-imidazol-2-ylsulfanyl)-5-propylpyrimidin-4-amine
CID 107784869
2,3,5-trichloro-6-(1H-imidazol-2-ylsulfanyl)pyridine
CID 107780767
[4-chloro-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-5-yl]methanol
CID 106926916
[4-(1H-imidazol-2-ylsulfanyl)phenyl]methanol
CID 107783417
3-[6-chloro-5-(hydroxymethyl)pyrimidin-4-yl]sulfanylbutan-2-ol
CID 107772308
4-chloro-6-(1H-imidazol-2-ylsulfanyl)-2-methylpyrimidine-5-carbaldehyde
CID 107780792
[4-chloro-6-[(2-chlorophenyl)methylsulfanyl]pyrimidin-5-yl]methanol
CID 103290812
3-chloro-N'-hydroxy-2-(1H-imidazol-2-ylsulfanyl)pyridine-4-carboximidamide
CID 136778508
5-chloro-N-ethyl-4-(1H-imidazol-2-ylsulfanyl)pyrimidin-2-amine
CID 107784969
2-amino-3-(1H-imidazol-2-ylsulfanyl)propan-1-ol
CID 107784621
2-(6-chloro-5-propylpyrimidin-4-yl)sulfanyl-1H-benzimidazole
CID 63731224

Frequently Asked Questions

What is the IUPAC name of [4-chloro-6-(1H-imidazol-2-ylsulfanyl)pyrimidin-5-yl]methanol?
The IUPAC name of [4-chloro-6-(1H-imidazol-2-ylsulfanyl)pyrimidin-5-yl]methanol (CID 107783386) is [4-chloro-6-(1H-imidazol-2-ylsulfanyl)pyrimidin-5-yl]methanol.
What is the SMILES notation for [4-chloro-6-(1H-imidazol-2-ylsulfanyl)pyrimidin-5-yl]methanol?
The canonical SMILES for [4-chloro-6-(1H-imidazol-2-ylsulfanyl)pyrimidin-5-yl]methanol is OCc1c(Cl)ncnc1Sc1ncc[nH]1.
What is the InChIKey of [4-chloro-6-(1H-imidazol-2-ylsulfanyl)pyrimidin-5-yl]methanol?
The InChIKey is OYUWHKKJJWTCEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN4OS/c9-6-5(3-14)7(13-4-12-6)15-8-10-1-2-11-8/h1-2,4,14H,3H2,(H,10,11).
What are the key properties of [4-chloro-6-(1H-imidazol-2-ylsulfanyl)pyrimidin-5-yl]methanol?
[4-chloro-6-(1H-imidazol-2-ylsulfanyl)pyrimidin-5-yl]methanol has a molecular weight of 242.69 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-6-(1H-imidazol-2-ylsulfanyl)pyrimidin-5-yl]methanol is sourced from PubChem (CID 107783386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).