1-[(1S)-1-(2-hydroxyethoxy)propyl]-4-methylpyrimidin-2-one

C10H16N2O3 — CID 71148648

IUPAC1-[(1S)-1-(2-hydroxyethoxy)propyl]-4-methylpyrimidin-2-one
SMILESCC[C@H](OCCO)n1ccc(C)nc1=O
InChIInChI=1S/C10H16N2O3/c1-3-9(15-7-6-13)12-5-4-8(2)11-10(12)14/h4-5,9,13H,3,6-7H2,1-2H3/t9-/m0/s1
InChIKeyZBYHLAGHXZNAEB-VIFPVBQESA-N
MW212.25 g/mol
LogP0.47
Rot. Bonds5

About 1-[(1S)-1-(2-hydroxyethoxy)propyl]-4-methylpyrimidin-2-one

1-[(1S)-1-(2-hydroxyethoxy)propyl]-4-methylpyrimidin-2-one (PubChem CID 71148648) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 1-[(1S)-1-(2-hydroxyethoxy)propyl]-4-methylpyrimidin-2-one.

Molecular Properties

Compound Name1-[(1S)-1-(2-hydroxyethoxy)propyl]-4-methylpyrimidin-2-one
PubChem CID71148648
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name1-[(1S)-1-(2-hydroxyethoxy)propyl]-4-methylpyrimidin-2-one
SMILESCC[C@H](OCCO)n1ccc(C)nc1=O
InChIInChI=1S/C10H16N2O3/c1-3-9(15-7-6-13)12-5-4-8(2)11-10(12)14/h4-5,9,13H,3,6-7H2,1-2H3/t9-/m0/s1
InChIKeyZBYHLAGHXZNAEB-VIFPVBQESA-N
XLogP0.47
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(2-hydroxyethoxy)propyl]-4-methylpyrimidin-2-one?
The IUPAC name of 1-[(1S)-1-(2-hydroxyethoxy)propyl]-4-methylpyrimidin-2-one (CID 71148648) is 1-[(1S)-1-(2-hydroxyethoxy)propyl]-4-methylpyrimidin-2-one.
What is the SMILES notation for 1-[(1S)-1-(2-hydroxyethoxy)propyl]-4-methylpyrimidin-2-one?
The canonical SMILES for 1-[(1S)-1-(2-hydroxyethoxy)propyl]-4-methylpyrimidin-2-one is CC[C@H](OCCO)n1ccc(C)nc1=O.
What is the InChIKey of 1-[(1S)-1-(2-hydroxyethoxy)propyl]-4-methylpyrimidin-2-one?
The InChIKey is ZBYHLAGHXZNAEB-VIFPVBQESA-N. The full InChI is InChI=1S/C10H16N2O3/c1-3-9(15-7-6-13)12-5-4-8(2)11-10(12)14/h4-5,9,13H,3,6-7H2,1-2H3/t9-/m0/s1.
What are the key properties of 1-[(1S)-1-(2-hydroxyethoxy)propyl]-4-methylpyrimidin-2-one?
1-[(1S)-1-(2-hydroxyethoxy)propyl]-4-methylpyrimidin-2-one has a molecular weight of 212.25 g/mol, XLogP of 0.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(2-hydroxyethoxy)propyl]-4-methylpyrimidin-2-one is sourced from PubChem (CID 71148648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).