(1S)-1-(4-methylpyrimidin-5-yl)ethanol

C7H10N2O — CID 91647671

IUPAC(1S)-1-(4-methylpyrimidin-5-yl)ethanol
SMILESCc1ncncc1[C@H](C)O
InChIInChI=1S/C7H10N2O/c1-5-7(6(2)10)3-8-4-9-5/h3-4,6,10H,1-2H3/t6-/m0/s1
InChIKeySHWJOHVKWIFYHJ-LURJTMIESA-N
MW138.17 g/mol
LogP0.84
Rot. Bonds1

About (1S)-1-(4-methylpyrimidin-5-yl)ethanol

(1S)-1-(4-methylpyrimidin-5-yl)ethanol (PubChem CID 91647671) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is (1S)-1-(4-methylpyrimidin-5-yl)ethanol.

Molecular Properties

Compound Name(1S)-1-(4-methylpyrimidin-5-yl)ethanol
PubChem CID91647671
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC Name(1S)-1-(4-methylpyrimidin-5-yl)ethanol
SMILESCc1ncncc1[C@H](C)O
InChIInChI=1S/C7H10N2O/c1-5-7(6(2)10)3-8-4-9-5/h3-4,6,10H,1-2H3/t6-/m0/s1
InChIKeySHWJOHVKWIFYHJ-LURJTMIESA-N
XLogP0.84
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-methylpyrimidin-5-yl)ethanol?
The IUPAC name of (1S)-1-(4-methylpyrimidin-5-yl)ethanol (CID 91647671) is (1S)-1-(4-methylpyrimidin-5-yl)ethanol.
What is the SMILES notation for (1S)-1-(4-methylpyrimidin-5-yl)ethanol?
The canonical SMILES for (1S)-1-(4-methylpyrimidin-5-yl)ethanol is Cc1ncncc1[C@H](C)O.
What is the InChIKey of (1S)-1-(4-methylpyrimidin-5-yl)ethanol?
The InChIKey is SHWJOHVKWIFYHJ-LURJTMIESA-N. The full InChI is InChI=1S/C7H10N2O/c1-5-7(6(2)10)3-8-4-9-5/h3-4,6,10H,1-2H3/t6-/m0/s1.
What are the key properties of (1S)-1-(4-methylpyrimidin-5-yl)ethanol?
(1S)-1-(4-methylpyrimidin-5-yl)ethanol has a molecular weight of 138.17 g/mol, XLogP of 0.84, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-methylpyrimidin-5-yl)ethanol is sourced from PubChem (CID 91647671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).