2-cyclopropyl-5-ethyl-1H-pyrimidin-6-one

C9H12N2O — CID 23465452

IUPAC2-cyclopropyl-5-ethyl-1H-pyrimidin-6-one
SMILESCCc1cnc(C2CC2)[nH]c1=O
InChIInChI=1S/C9H12N2O/c1-2-6-5-10-8(7-3-4-7)11-9(6)12/h5,7H,2-4H2,1H3,(H,10,11,12)
InChIKeyCTGJVVJOLHMCST-UHFFFAOYSA-N
MW164.21 g/mol
LogP1.21
Rot. Bonds2

About 2-cyclopropyl-5-ethyl-1H-pyrimidin-6-one

2-cyclopropyl-5-ethyl-1H-pyrimidin-6-one (PubChem CID 23465452) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 2-cyclopropyl-5-ethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-5-ethyl-1H-pyrimidin-6-one
PubChem CID23465452
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name2-cyclopropyl-5-ethyl-1H-pyrimidin-6-one
SMILESCCc1cnc(C2CC2)[nH]c1=O
InChIInChI=1S/C9H12N2O/c1-2-6-5-10-8(7-3-4-7)11-9(6)12/h5,7H,2-4H2,1H3,(H,10,11,12)
InChIKeyCTGJVVJOLHMCST-UHFFFAOYSA-N
XLogP1.21
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-ethyl-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-5-ethyl-1H-pyrimidin-6-one (CID 23465452) is 2-cyclopropyl-5-ethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-5-ethyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-5-ethyl-1H-pyrimidin-6-one is CCc1cnc(C2CC2)[nH]c1=O.
What is the InChIKey of 2-cyclopropyl-5-ethyl-1H-pyrimidin-6-one?
The InChIKey is CTGJVVJOLHMCST-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-2-6-5-10-8(7-3-4-7)11-9(6)12/h5,7H,2-4H2,1H3,(H,10,11,12).
What are the key properties of 2-cyclopropyl-5-ethyl-1H-pyrimidin-6-one?
2-cyclopropyl-5-ethyl-1H-pyrimidin-6-one has a molecular weight of 164.21 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-ethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 23465452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).