(2-ethylsulfanylpyrimidin-4-yl)methanol

C7H10N2OS — CID 119091737

IUPAC(2-ethylsulfanylpyrimidin-4-yl)methanol
SMILESCCSc1nccc(CO)n1
InChIInChI=1S/C7H10N2OS/c1-2-11-7-8-4-3-6(5-10)9-7/h3-4,10H,2,5H2,1H3
InChIKeyOSSBRLUHVUVPMX-UHFFFAOYSA-N
MW170.24 g/mol
LogP1.08
Rot. Bonds3

About (2-ethylsulfanylpyrimidin-4-yl)methanol

(2-ethylsulfanylpyrimidin-4-yl)methanol (PubChem CID 119091737) has the molecular formula C7H10N2OS and a molecular weight of 170.24 g/mol. Its IUPAC name is (2-ethylsulfanylpyrimidin-4-yl)methanol.

Molecular Properties

Compound Name(2-ethylsulfanylpyrimidin-4-yl)methanol
PubChem CID119091737
Molecular FormulaC7H10N2OS
Molecular Weight170.24 g/mol
Exact Mass170.05
IUPAC Name(2-ethylsulfanylpyrimidin-4-yl)methanol
SMILESCCSc1nccc(CO)n1
InChIInChI=1S/C7H10N2OS/c1-2-11-7-8-4-3-6(5-10)9-7/h3-4,10H,2,5H2,1H3
InChIKeyOSSBRLUHVUVPMX-UHFFFAOYSA-N
XLogP1.08
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.24
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-methylsulfanylpyrimidin-4-yl)methanamine;dihydrochloride
CID 170918737
(2-ethylsulfanyl-4-pyridinyl)methanol
CID 130360877
[2-(2-methylpropyl)pyrimidin-4-yl]methanol
CID 62747781
[2-(butan-2-ylamino)pyrimidin-4-yl]methanol
CID 131110301
[2-ethylsulfanyl-4-(methylamino)pyrimidin-5-yl]methanol
CID 130836029
(4-ethylsulfanyl-3-methyl-2-pyridinyl)methanol
CID 14076694
1-(2-methylsulfanylpyrimidin-4-yl)propan-2-one
CID 59606606
2-propylsulfanylpyrimidin-4-amine
CID 565451
[2-(3-ethyl-2-pyridinyl)pyrimidin-4-yl]methanol
CID 82740620
[2-[(3-methylimidazol-4-yl)methoxy]pyrimidin-4-yl]methanol
CID 118157182
[2-(pyridin-4-ylmethoxy)pyrimidin-4-yl]methanol
CID 118157116
2-(2-methylbutylsulfanyl)pyrimidin-4-amine
CID 107765019

Frequently Asked Questions

What is the IUPAC name of (2-ethylsulfanylpyrimidin-4-yl)methanol?
The IUPAC name of (2-ethylsulfanylpyrimidin-4-yl)methanol (CID 119091737) is (2-ethylsulfanylpyrimidin-4-yl)methanol.
What is the SMILES notation for (2-ethylsulfanylpyrimidin-4-yl)methanol?
The canonical SMILES for (2-ethylsulfanylpyrimidin-4-yl)methanol is CCSc1nccc(CO)n1.
What is the InChIKey of (2-ethylsulfanylpyrimidin-4-yl)methanol?
The InChIKey is OSSBRLUHVUVPMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2OS/c1-2-11-7-8-4-3-6(5-10)9-7/h3-4,10H,2,5H2,1H3.
What are the key properties of (2-ethylsulfanylpyrimidin-4-yl)methanol?
(2-ethylsulfanylpyrimidin-4-yl)methanol has a molecular weight of 170.24 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylsulfanylpyrimidin-4-yl)methanol is sourced from PubChem (CID 119091737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).