2-ethyl-5-(hydroxymethyl)-1H-pyrimidin-6-one

C7H10N2O2 — CID 126974108

IUPAC2-ethyl-5-(hydroxymethyl)-1H-pyrimidin-6-one
SMILESCCc1ncc(CO)c(=O)[nH]1
InChIInChI=1S/C7H10N2O2/c1-2-6-8-3-5(4-10)7(11)9-6/h3,10H,2,4H2,1H3,(H,8,9,11)
InChIKeyUNWNLOFIYHPSEB-UHFFFAOYSA-N
MW154.17 g/mol
LogP-0.18
Rot. Bonds2

About 2-ethyl-5-(hydroxymethyl)-1H-pyrimidin-6-one

2-ethyl-5-(hydroxymethyl)-1H-pyrimidin-6-one (PubChem CID 126974108) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is 2-ethyl-5-(hydroxymethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-ethyl-5-(hydroxymethyl)-1H-pyrimidin-6-one
PubChem CID126974108
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name2-ethyl-5-(hydroxymethyl)-1H-pyrimidin-6-one
SMILESCCc1ncc(CO)c(=O)[nH]1
InChIInChI=1S/C7H10N2O2/c1-2-6-8-3-5(4-10)7(11)9-6/h3,10H,2,4H2,1H3,(H,8,9,11)
InChIKeyUNWNLOFIYHPSEB-UHFFFAOYSA-N
XLogP-0.18
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(Hydroxymethyl)-2-methylpyrimidin-4-ol
CID 14779126
2-Ethyl-6-oxo-1,6-dihydropyrimidine-5-carboxylic acid hydrochloride
CID 132354266
2-Ethyl-6-oxo-1,6-dihydropyrimidine-5-carboxylic acid
CID 21473456
5-(hydroxymethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrimidin-6-one
CID 114204897
5-(hydroxymethyl)-2-(trifluoromethyl)-1H-pyrimidin-6-one
CID 130123874
2-methyl-5-(methylperoxymethyl)-1H-pyrimidin-6-one
CID 20583147
2-butyl-5-(hydroxymethyl)-1H-pyrimidin-6-one
CID 21691547
6-Oxo-2-(propan-2-yl)-1,6-dihydropyrimidine-5-carboxylic acid
CID 30031661
6-Oxo-2-propyl-1,6-dihydropyrimidine-5-carboxylic acid
CID 62022273
5-(hydroxymethyl)-6-oxo-1H-pyrimidine-2-carboxamide
CID 132205751
Ethane;5-(hydroxymethyl)-2,3-dimethylpyrimidin-4-one
CID 141822312
2-chloro-5-(hydroxymethyl)-1H-pyrimidin-6-one;ethane
CID 145174008

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-(hydroxymethyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-ethyl-5-(hydroxymethyl)-1H-pyrimidin-6-one (CID 126974108) is 2-ethyl-5-(hydroxymethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-ethyl-5-(hydroxymethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-ethyl-5-(hydroxymethyl)-1H-pyrimidin-6-one is CCc1ncc(CO)c(=O)[nH]1.
What is the InChIKey of 2-ethyl-5-(hydroxymethyl)-1H-pyrimidin-6-one?
The InChIKey is UNWNLOFIYHPSEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-2-6-8-3-5(4-10)7(11)9-6/h3,10H,2,4H2,1H3,(H,8,9,11).
What are the key properties of 2-ethyl-5-(hydroxymethyl)-1H-pyrimidin-6-one?
2-ethyl-5-(hydroxymethyl)-1H-pyrimidin-6-one has a molecular weight of 154.17 g/mol, XLogP of -0.18, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-(hydroxymethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 126974108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).