2-[(1S)-1-hydroxyethyl]-1H-pyrimidin-6-one

C6H8N2O2 — CID 45080108

IUPAC2-[(1S)-1-hydroxyethyl]-1H-pyrimidin-6-one
SMILESC[C@H](O)c1nccc(=O)[nH]1
InChIInChI=1S/C6H8N2O2/c1-4(9)6-7-3-2-5(10)8-6/h2-4,9H,1H3,(H,7,8,10)/t4-/m0/s1
InChIKeyPSUSZVMSXODUAH-BYPYZUCNSA-N
MW140.14 g/mol
LogP-0.18
Rot. Bonds1

About 2-[(1S)-1-hydroxyethyl]-1H-pyrimidin-6-one

2-[(1S)-1-hydroxyethyl]-1H-pyrimidin-6-one (PubChem CID 45080108) has the molecular formula C6H8N2O2 and a molecular weight of 140.14 g/mol. Its IUPAC name is 2-[(1S)-1-hydroxyethyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(1S)-1-hydroxyethyl]-1H-pyrimidin-6-one
PubChem CID45080108
Molecular FormulaC6H8N2O2
Molecular Weight140.14 g/mol
Exact Mass140.06
IUPAC Name2-[(1S)-1-hydroxyethyl]-1H-pyrimidin-6-one
SMILESC[C@H](O)c1nccc(=O)[nH]1
InChIInChI=1S/C6H8N2O2/c1-4(9)6-7-3-2-5(10)8-6/h2-4,9H,1H3,(H,7,8,10)/t4-/m0/s1
InChIKeyPSUSZVMSXODUAH-BYPYZUCNSA-N
XLogP-0.18
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-hydroxyethyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-[(1S)-1-hydroxyethyl]-1H-pyrimidin-6-one (CID 45080108) is 2-[(1S)-1-hydroxyethyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(1S)-1-hydroxyethyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(1S)-1-hydroxyethyl]-1H-pyrimidin-6-one is C[C@H](O)c1nccc(=O)[nH]1.
What is the InChIKey of 2-[(1S)-1-hydroxyethyl]-1H-pyrimidin-6-one?
The InChIKey is PSUSZVMSXODUAH-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H8N2O2/c1-4(9)6-7-3-2-5(10)8-6/h2-4,9H,1H3,(H,7,8,10)/t4-/m0/s1.
What are the key properties of 2-[(1S)-1-hydroxyethyl]-1H-pyrimidin-6-one?
2-[(1S)-1-hydroxyethyl]-1H-pyrimidin-6-one has a molecular weight of 140.14 g/mol, XLogP of -0.18, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-hydroxyethyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 45080108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).