1-(2-hydroxyethyl)-4,5,6-trimethylpyrimidin-2-one

C9H14N2O2 — CID 175647241

IUPAC1-(2-hydroxyethyl)-4,5,6-trimethylpyrimidin-2-one
SMILESCc1nc(=O)n(CCO)c(C)c1C
InChIInChI=1S/C9H14N2O2/c1-6-7(2)10-9(13)11(4-5-12)8(6)3/h12H,4-5H2,1-3H3
InChIKeyPQHPFQMRLDWNLG-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.16
Rot. Bonds2

About 1-(2-hydroxyethyl)-4,5,6-trimethylpyrimidin-2-one

1-(2-hydroxyethyl)-4,5,6-trimethylpyrimidin-2-one (PubChem CID 175647241) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-4,5,6-trimethylpyrimidin-2-one.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-4,5,6-trimethylpyrimidin-2-one
PubChem CID175647241
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name1-(2-hydroxyethyl)-4,5,6-trimethylpyrimidin-2-one
SMILESCc1nc(=O)n(CCO)c(C)c1C
InChIInChI=1S/C9H14N2O2/c1-6-7(2)10-9(13)11(4-5-12)8(6)3/h12H,4-5H2,1-3H3
InChIKeyPQHPFQMRLDWNLG-UHFFFAOYSA-N
XLogP0.16
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 ≤ 50.16
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-(2-Hydroxyethyl)-1,4,6-trimethyl-2-oxo-2,3-dihydropyrimidinium iodide
CID 15787712
4,6-Diethyl-1-(2-hydroxyethyl)-2-oxopyrimidine
CID 175647249
1-(2-Hydroxyethyl)-4,6-dimethylpyrimidin-2-one chloride
CID 53346709
1,3-Bis(2-hydroxyethyl)-4,6-dimethylpyrimidin-1-ium-2-one
CID 12097247
1-(2-Hydroxyethyl)-3,4,6-trimethylpyrimidin-3-ium-2-one
CID 15787713
1-(2-Hydroxyethyl)-3,4,6-trimethylpyrimidin-3-ium-2-one chloride
CID 69111877
Ethane;1-(2-hydroxyethyl)-3,4,6-trimethylpyrimidin-3-ium-2-one
CID 143494103
Hydron;1-(2-hydroxyethyl)-4,6-dimethylpyrimidin-2-one;chloride
CID 663808
2-(4,5,6-Trimethyl-2-oxo-1,2-dihydropyrimidin-1-yl)acetic acid
CID 25917256
5-Bromo-1-(2-hydroxyethyl)-4,6-dimethylpyrimidin-2-one
CID 81694515

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-4,5,6-trimethylpyrimidin-2-one?
The IUPAC name of 1-(2-hydroxyethyl)-4,5,6-trimethylpyrimidin-2-one (CID 175647241) is 1-(2-hydroxyethyl)-4,5,6-trimethylpyrimidin-2-one.
What is the SMILES notation for 1-(2-hydroxyethyl)-4,5,6-trimethylpyrimidin-2-one?
The canonical SMILES for 1-(2-hydroxyethyl)-4,5,6-trimethylpyrimidin-2-one is Cc1nc(=O)n(CCO)c(C)c1C.
What is the InChIKey of 1-(2-hydroxyethyl)-4,5,6-trimethylpyrimidin-2-one?
The InChIKey is PQHPFQMRLDWNLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-6-7(2)10-9(13)11(4-5-12)8(6)3/h12H,4-5H2,1-3H3.
What are the key properties of 1-(2-hydroxyethyl)-4,5,6-trimethylpyrimidin-2-one?
1-(2-hydroxyethyl)-4,5,6-trimethylpyrimidin-2-one has a molecular weight of 182.22 g/mol, XLogP of 0.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-4,5,6-trimethylpyrimidin-2-one is sourced from PubChem (CID 175647241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).