3-[(2R)-2-hydroxypropyl]-2,6-dimethylpyrimidin-4-one

C9H14N2O2 — CID 96672369

IUPAC3-[(2R)-2-hydroxypropyl]-2,6-dimethylpyrimidin-4-one
SMILESCc1cc(=O)n(C[C@@H](C)O)c(C)n1
InChIInChI=1S/C9H14N2O2/c1-6-4-9(13)11(5-7(2)12)8(3)10-6/h4,7,12H,5H2,1-3H3/t7-/m1/s1
InChIKeyWFJNRKJTKCWVRB-SSDOTTSWSA-N
MW182.22 g/mol
LogP0.24
Rot. Bonds2

About 3-[(2R)-2-hydroxypropyl]-2,6-dimethylpyrimidin-4-one

3-[(2R)-2-hydroxypropyl]-2,6-dimethylpyrimidin-4-one (PubChem CID 96672369) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 3-[(2R)-2-hydroxypropyl]-2,6-dimethylpyrimidin-4-one.

Molecular Properties

Compound Name3-[(2R)-2-hydroxypropyl]-2,6-dimethylpyrimidin-4-one
PubChem CID96672369
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name3-[(2R)-2-hydroxypropyl]-2,6-dimethylpyrimidin-4-one
SMILESCc1cc(=O)n(C[C@@H](C)O)c(C)n1
InChIInChI=1S/C9H14N2O2/c1-6-4-9(13)11(5-7(2)12)8(3)10-6/h4,7,12H,5H2,1-3H3/t7-/m1/s1
InChIKeyWFJNRKJTKCWVRB-SSDOTTSWSA-N
XLogP0.24
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-3-(2-hydroxypropyl)-2-methylpyrimidin-4-one
CID 114581683
3-[(2R)-2-aminopropyl]-2,6-dimethylpyrimidin-4-one
CID 103934813
3-(2-cyclopentyl-2-hydroxyethyl)-2,6-dimethylpyrimidin-4-one
CID 104753256
methyl 2-bromo-3-(2,4-dimethyl-6-oxopyrimidin-1-yl)propanoate
CID 81098959
3-[2-(4-ethylphenyl)-2-hydroxyethyl]-2,6-dimethylpyrimidin-4-one
CID 63769037
3-(2-amino-2-phenylethyl)-2,6-dimethylpyrimidin-4-one
CID 63768475
2,6-dimethyl-3-[2-(propylamino)butyl]pyrimidin-4-one
CID 63767942
3-[2-amino-2-(4-fluorophenyl)ethyl]-2,6-dimethylpyrimidin-4-one
CID 107522652
2,6-dimethyl-3-(4-oxohexyl)pyrimidin-4-one
CID 106801775
methyl 2-(2,4-dimethyl-6-oxopyrimidin-1-yl)acetate
CID 63768646
3-(2,4-dimethyl-6-oxopyrimidin-1-yl)propanal
CID 63768681
4-(2,4-dimethyl-6-oxopyrimidin-1-yl)but-2-enoic acid
CID 76974894

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-2-hydroxypropyl]-2,6-dimethylpyrimidin-4-one?
The IUPAC name of 3-[(2R)-2-hydroxypropyl]-2,6-dimethylpyrimidin-4-one (CID 96672369) is 3-[(2R)-2-hydroxypropyl]-2,6-dimethylpyrimidin-4-one.
What is the SMILES notation for 3-[(2R)-2-hydroxypropyl]-2,6-dimethylpyrimidin-4-one?
The canonical SMILES for 3-[(2R)-2-hydroxypropyl]-2,6-dimethylpyrimidin-4-one is Cc1cc(=O)n(C[C@@H](C)O)c(C)n1.
What is the InChIKey of 3-[(2R)-2-hydroxypropyl]-2,6-dimethylpyrimidin-4-one?
The InChIKey is WFJNRKJTKCWVRB-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-6-4-9(13)11(5-7(2)12)8(3)10-6/h4,7,12H,5H2,1-3H3/t7-/m1/s1.
What are the key properties of 3-[(2R)-2-hydroxypropyl]-2,6-dimethylpyrimidin-4-one?
3-[(2R)-2-hydroxypropyl]-2,6-dimethylpyrimidin-4-one has a molecular weight of 182.22 g/mol, XLogP of 0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-2-hydroxypropyl]-2,6-dimethylpyrimidin-4-one is sourced from PubChem (CID 96672369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).