1-(3-hydroxypropyl)-4,6-dimethylpyrimidin-2-one

C9H14N2O2 — CID 43509825

IUPAC1-(3-hydroxypropyl)-4,6-dimethylpyrimidin-2-one
SMILESCc1cc(C)n(CCCO)c(=O)n1
InChIInChI=1S/C9H14N2O2/c1-7-6-8(2)11(4-3-5-12)9(13)10-7/h6,12H,3-5H2,1-2H3
InChIKeyBNBAZSLNRGVGRZ-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.24
Rot. Bonds3

About 1-(3-hydroxypropyl)-4,6-dimethylpyrimidin-2-one

1-(3-hydroxypropyl)-4,6-dimethylpyrimidin-2-one (PubChem CID 43509825) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 1-(3-hydroxypropyl)-4,6-dimethylpyrimidin-2-one.

Molecular Properties

Compound Name1-(3-hydroxypropyl)-4,6-dimethylpyrimidin-2-one
PubChem CID43509825
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name1-(3-hydroxypropyl)-4,6-dimethylpyrimidin-2-one
SMILESCc1cc(C)n(CCCO)c(=O)n1
InChIInChI=1S/C9H14N2O2/c1-7-6-8(2)11(4-3-5-12)9(13)10-7/h6,12H,3-5H2,1-2H3
InChIKeyBNBAZSLNRGVGRZ-UHFFFAOYSA-N
XLogP0.24
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 ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-Hydroxyethyl)-4,6-dimethyl-2(1H)-pyrimidinone
CID 121931
1-(2-hydroxyethyl)-4,6-dimethylpyrimidin-2(1H)-one hydrochloride
CID 6603213
3-(4,6-Dimethyl-2-oxo-1,2-dihydropyrimidin-1-yl)propanoic acid hydrochloride
CID 16417864
3-(4,6-Dimethyl-2-oxo-2H-pyrimidin-1-yl)-propionic acid
CID 6484627
1-(beta-Hydroxyethyl)-4,6-dimethyl-1,2-dihydro-2-hydroxypyrimidine
CID 69174303
1-(3-Hydroxypropyl)-4-methyl-2-oxopyrimidine
CID 130485259
1,2-Dihydro-4,6-dimethyl-1-propyl-pyrimidin-2-one
CID 12795361
3-(2-Hydroxyethyl)-1,4,6-trimethyl-2-oxo-2,3-dihydropyrimidinium iodide
CID 15787712
1-(4-Hydroxybutyl)-4,6-dimethyl-2-oxopyrimidine
CID 43509827
1-(5-Hydroxypentyl)-4,6-dimethyl-2-oxopyrimidine
CID 62228806
1-(3-Hydroxypropyl)-6-methyl-2oxopyrimidine
CID 175647230
4,6-Diethyl-1-(2-hydroxyethyl)-2-oxopyrimidine
CID 175647249

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxypropyl)-4,6-dimethylpyrimidin-2-one?
The IUPAC name of 1-(3-hydroxypropyl)-4,6-dimethylpyrimidin-2-one (CID 43509825) is 1-(3-hydroxypropyl)-4,6-dimethylpyrimidin-2-one.
What is the SMILES notation for 1-(3-hydroxypropyl)-4,6-dimethylpyrimidin-2-one?
The canonical SMILES for 1-(3-hydroxypropyl)-4,6-dimethylpyrimidin-2-one is Cc1cc(C)n(CCCO)c(=O)n1.
What is the InChIKey of 1-(3-hydroxypropyl)-4,6-dimethylpyrimidin-2-one?
The InChIKey is BNBAZSLNRGVGRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-7-6-8(2)11(4-3-5-12)9(13)10-7/h6,12H,3-5H2,1-2H3.
What are the key properties of 1-(3-hydroxypropyl)-4,6-dimethylpyrimidin-2-one?
1-(3-hydroxypropyl)-4,6-dimethylpyrimidin-2-one has a molecular weight of 182.22 g/mol, XLogP of 0.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxypropyl)-4,6-dimethylpyrimidin-2-one is sourced from PubChem (CID 43509825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).