(1S)-1-pyrimidin-5-ylethanol

C6H8N2O — CID 86316466

IUPAC(1S)-1-pyrimidin-5-ylethanol
SMILESC[C@H](O)c1cncnc1
InChIInChI=1S/C6H8N2O/c1-5(9)6-2-7-4-8-3-6/h2-5,9H,1H3/t5-/m0/s1
InChIKeyLHBKMPNNYVQNRE-YFKPBYRVSA-N
MW124.14 g/mol
LogP0.53
Rot. Bonds1

About (1S)-1-pyrimidin-5-ylethanol

(1S)-1-pyrimidin-5-ylethanol (PubChem CID 86316466) has the molecular formula C6H8N2O and a molecular weight of 124.14 g/mol. Its IUPAC name is (1S)-1-pyrimidin-5-ylethanol.

Molecular Properties

Compound Name(1S)-1-pyrimidin-5-ylethanol
PubChem CID86316466
Molecular FormulaC6H8N2O
Molecular Weight124.14 g/mol
Exact Mass124.06
IUPAC Name(1S)-1-pyrimidin-5-ylethanol
SMILESC[C@H](O)c1cncnc1
InChIInChI=1S/C6H8N2O/c1-5(9)6-2-7-4-8-3-6/h2-5,9H,1H3/t5-/m0/s1
InChIKeyLHBKMPNNYVQNRE-YFKPBYRVSA-N
XLogP0.53
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.14
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-pyrimidin-5-ylethanol?
The IUPAC name of (1S)-1-pyrimidin-5-ylethanol (CID 86316466) is (1S)-1-pyrimidin-5-ylethanol.
What is the SMILES notation for (1S)-1-pyrimidin-5-ylethanol?
The canonical SMILES for (1S)-1-pyrimidin-5-ylethanol is C[C@H](O)c1cncnc1.
What is the InChIKey of (1S)-1-pyrimidin-5-ylethanol?
The InChIKey is LHBKMPNNYVQNRE-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H8N2O/c1-5(9)6-2-7-4-8-3-6/h2-5,9H,1H3/t5-/m0/s1.
What are the key properties of (1S)-1-pyrimidin-5-ylethanol?
(1S)-1-pyrimidin-5-ylethanol has a molecular weight of 124.14 g/mol, XLogP of 0.53, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-pyrimidin-5-ylethanol is sourced from PubChem (CID 86316466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).