2-cyclopropyl-3-(2-hydroxyethyl)-6-methylpyrimidin-4-one

C10H14N2O2 — CID 126857762

IUPAC2-cyclopropyl-3-(2-hydroxyethyl)-6-methylpyrimidin-4-one
SMILESCc1cc(=O)n(CCO)c(C2CC2)n1
InChIInChI=1S/C10H14N2O2/c1-7-6-9(14)12(4-5-13)10(11-7)8-2-3-8/h6,8,13H,2-5H2,1H3
InChIKeyVUDFJTGBSXQIOL-UHFFFAOYSA-N
MW194.23 g/mol
LogP0.42
Rot. Bonds3

About 2-cyclopropyl-3-(2-hydroxyethyl)-6-methylpyrimidin-4-one

2-cyclopropyl-3-(2-hydroxyethyl)-6-methylpyrimidin-4-one (PubChem CID 126857762) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2-cyclopropyl-3-(2-hydroxyethyl)-6-methylpyrimidin-4-one.

Molecular Properties

Compound Name2-cyclopropyl-3-(2-hydroxyethyl)-6-methylpyrimidin-4-one
PubChem CID126857762
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name2-cyclopropyl-3-(2-hydroxyethyl)-6-methylpyrimidin-4-one
SMILESCc1cc(=O)n(CCO)c(C2CC2)n1
InChIInChI=1S/C10H14N2O2/c1-7-6-9(14)12(4-5-13)10(11-7)8-2-3-8/h6,8,13H,2-5H2,1H3
InChIKeyVUDFJTGBSXQIOL-UHFFFAOYSA-N
XLogP0.42
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(2-hydroxyethyl)-6-methylpyrimidin-4-one?
The IUPAC name of 2-cyclopropyl-3-(2-hydroxyethyl)-6-methylpyrimidin-4-one (CID 126857762) is 2-cyclopropyl-3-(2-hydroxyethyl)-6-methylpyrimidin-4-one.
What is the SMILES notation for 2-cyclopropyl-3-(2-hydroxyethyl)-6-methylpyrimidin-4-one?
The canonical SMILES for 2-cyclopropyl-3-(2-hydroxyethyl)-6-methylpyrimidin-4-one is Cc1cc(=O)n(CCO)c(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-3-(2-hydroxyethyl)-6-methylpyrimidin-4-one?
The InChIKey is VUDFJTGBSXQIOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-7-6-9(14)12(4-5-13)10(11-7)8-2-3-8/h6,8,13H,2-5H2,1H3.
What are the key properties of 2-cyclopropyl-3-(2-hydroxyethyl)-6-methylpyrimidin-4-one?
2-cyclopropyl-3-(2-hydroxyethyl)-6-methylpyrimidin-4-one has a molecular weight of 194.23 g/mol, XLogP of 0.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(2-hydroxyethyl)-6-methylpyrimidin-4-one is sourced from PubChem (CID 126857762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).