1-(3-hydroxypropyl)-5-methylpyrimidin-2-one

C8H12N2O2 — CID 63205759

IUPAC1-(3-hydroxypropyl)-5-methylpyrimidin-2-one
SMILESCc1cnc(=O)n(CCCO)c1
InChIInChI=1S/C8H12N2O2/c1-7-5-9-8(12)10(6-7)3-2-4-11/h5-6,11H,2-4H2,1H3
InChIKeyRXCVDQLMADCQAY-UHFFFAOYSA-N
MW168.20 g/mol
LogP-0.07
Rot. Bonds3

About 1-(3-hydroxypropyl)-5-methylpyrimidin-2-one

1-(3-hydroxypropyl)-5-methylpyrimidin-2-one (PubChem CID 63205759) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 1-(3-hydroxypropyl)-5-methylpyrimidin-2-one.

Molecular Properties

Compound Name1-(3-hydroxypropyl)-5-methylpyrimidin-2-one
PubChem CID63205759
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name1-(3-hydroxypropyl)-5-methylpyrimidin-2-one
SMILESCc1cnc(=O)n(CCCO)c1
InChIInChI=1S/C8H12N2O2/c1-7-5-9-8(12)10(6-7)3-2-4-11/h5-6,11H,2-4H2,1H3
InChIKeyRXCVDQLMADCQAY-UHFFFAOYSA-N
XLogP-0.07
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxypropyl)-5-methylpyrimidin-2-one?
The IUPAC name of 1-(3-hydroxypropyl)-5-methylpyrimidin-2-one (CID 63205759) is 1-(3-hydroxypropyl)-5-methylpyrimidin-2-one.
What is the SMILES notation for 1-(3-hydroxypropyl)-5-methylpyrimidin-2-one?
The canonical SMILES for 1-(3-hydroxypropyl)-5-methylpyrimidin-2-one is Cc1cnc(=O)n(CCCO)c1.
What is the InChIKey of 1-(3-hydroxypropyl)-5-methylpyrimidin-2-one?
The InChIKey is RXCVDQLMADCQAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-7-5-9-8(12)10(6-7)3-2-4-11/h5-6,11H,2-4H2,1H3.
What are the key properties of 1-(3-hydroxypropyl)-5-methylpyrimidin-2-one?
1-(3-hydroxypropyl)-5-methylpyrimidin-2-one has a molecular weight of 168.20 g/mol, XLogP of -0.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxypropyl)-5-methylpyrimidin-2-one is sourced from PubChem (CID 63205759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).