3-(2-hydroxypropyl)-6-methyl-2-phenylpyrimidin-4-one

C14H16N2O2 — CID 53192040

IUPAC3-(2-hydroxypropyl)-6-methyl-2-phenylpyrimidin-4-one
SMILESCc1cc(=O)n(CC(C)O)c(-c2ccccc2)n1
InChIInChI=1S/C14H16N2O2/c1-10-8-13(18)16(9-11(2)17)14(15-10)12-6-4-3-5-7-12/h3-8,11,17H,9H2,1-2H3
InChIKeyRCRLUDYLIFIGMM-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.60
Rot. Bonds3

About 3-(2-hydroxypropyl)-6-methyl-2-phenylpyrimidin-4-one

3-(2-hydroxypropyl)-6-methyl-2-phenylpyrimidin-4-one (PubChem CID 53192040) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 3-(2-hydroxypropyl)-6-methyl-2-phenylpyrimidin-4-one.

Molecular Properties

Compound Name3-(2-hydroxypropyl)-6-methyl-2-phenylpyrimidin-4-one
PubChem CID53192040
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name3-(2-hydroxypropyl)-6-methyl-2-phenylpyrimidin-4-one
SMILESCc1cc(=O)n(CC(C)O)c(-c2ccccc2)n1
InChIInChI=1S/C14H16N2O2/c1-10-8-13(18)16(9-11(2)17)14(15-10)12-6-4-3-5-7-12/h3-8,11,17H,9H2,1-2H3
InChIKeyRCRLUDYLIFIGMM-UHFFFAOYSA-N
XLogP1.60
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxypropyl)-6-methyl-2-phenylpyrimidin-4-one?
The IUPAC name of 3-(2-hydroxypropyl)-6-methyl-2-phenylpyrimidin-4-one (CID 53192040) is 3-(2-hydroxypropyl)-6-methyl-2-phenylpyrimidin-4-one.
What is the SMILES notation for 3-(2-hydroxypropyl)-6-methyl-2-phenylpyrimidin-4-one?
The canonical SMILES for 3-(2-hydroxypropyl)-6-methyl-2-phenylpyrimidin-4-one is Cc1cc(=O)n(CC(C)O)c(-c2ccccc2)n1.
What is the InChIKey of 3-(2-hydroxypropyl)-6-methyl-2-phenylpyrimidin-4-one?
The InChIKey is RCRLUDYLIFIGMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-10-8-13(18)16(9-11(2)17)14(15-10)12-6-4-3-5-7-12/h3-8,11,17H,9H2,1-2H3.
What are the key properties of 3-(2-hydroxypropyl)-6-methyl-2-phenylpyrimidin-4-one?
3-(2-hydroxypropyl)-6-methyl-2-phenylpyrimidin-4-one has a molecular weight of 244.29 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxypropyl)-6-methyl-2-phenylpyrimidin-4-one is sourced from PubChem (CID 53192040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).