1-[(2R)-2-hydroxybutyl]-4-methylpyrimidin-2-one

C9H14N2O2 — CID 58922325

IUPAC1-[(2R)-2-hydroxybutyl]-4-methylpyrimidin-2-one
SMILESCC[C@@H](O)Cn1ccc(C)nc1=O
InChIInChI=1S/C9H14N2O2/c1-3-8(12)6-11-5-4-7(2)10-9(11)13/h4-5,8,12H,3,6H2,1-2H3/t8-/m1/s1
InChIKeyXALKZHKCWQQLHM-MRVPVSSYSA-N
MW182.22 g/mol
LogP0.32
Rot. Bonds3

About 1-[(2R)-2-hydroxybutyl]-4-methylpyrimidin-2-one

1-[(2R)-2-hydroxybutyl]-4-methylpyrimidin-2-one (PubChem CID 58922325) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 1-[(2R)-2-hydroxybutyl]-4-methylpyrimidin-2-one.

Molecular Properties

Compound Name1-[(2R)-2-hydroxybutyl]-4-methylpyrimidin-2-one
PubChem CID58922325
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name1-[(2R)-2-hydroxybutyl]-4-methylpyrimidin-2-one
SMILESCC[C@@H](O)Cn1ccc(C)nc1=O
InChIInChI=1S/C9H14N2O2/c1-3-8(12)6-11-5-4-7(2)10-9(11)13/h4-5,8,12H,3,6H2,1-2H3/t8-/m1/s1
InChIKeyXALKZHKCWQQLHM-MRVPVSSYSA-N
XLogP0.32
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-hydroxybutyl]-4-methylpyrimidin-2-one?
The IUPAC name of 1-[(2R)-2-hydroxybutyl]-4-methylpyrimidin-2-one (CID 58922325) is 1-[(2R)-2-hydroxybutyl]-4-methylpyrimidin-2-one.
What is the SMILES notation for 1-[(2R)-2-hydroxybutyl]-4-methylpyrimidin-2-one?
The canonical SMILES for 1-[(2R)-2-hydroxybutyl]-4-methylpyrimidin-2-one is CC[C@@H](O)Cn1ccc(C)nc1=O.
What is the InChIKey of 1-[(2R)-2-hydroxybutyl]-4-methylpyrimidin-2-one?
The InChIKey is XALKZHKCWQQLHM-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-3-8(12)6-11-5-4-7(2)10-9(11)13/h4-5,8,12H,3,6H2,1-2H3/t8-/m1/s1.
What are the key properties of 1-[(2R)-2-hydroxybutyl]-4-methylpyrimidin-2-one?
1-[(2R)-2-hydroxybutyl]-4-methylpyrimidin-2-one has a molecular weight of 182.22 g/mol, XLogP of 0.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-hydroxybutyl]-4-methylpyrimidin-2-one is sourced from PubChem (CID 58922325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).