2-cyclopropyl-4-ethoxy-1H-pyrimidin-6-one

C9H12N2O2 — CID 12945284

IUPAC2-cyclopropyl-4-ethoxy-1H-pyrimidin-6-one
SMILESCCOc1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C9H12N2O2/c1-2-13-8-5-7(12)10-9(11-8)6-3-4-6/h5-6H,2-4H2,1H3,(H,10,11,12)
InChIKeyTZZYSMUICIXNIV-UHFFFAOYSA-N
MW180.21 g/mol
LogP1.05
Rot. Bonds3

About 2-cyclopropyl-4-ethoxy-1H-pyrimidin-6-one

2-cyclopropyl-4-ethoxy-1H-pyrimidin-6-one (PubChem CID 12945284) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 2-cyclopropyl-4-ethoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-ethoxy-1H-pyrimidin-6-one
PubChem CID12945284
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name2-cyclopropyl-4-ethoxy-1H-pyrimidin-6-one
SMILESCCOc1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C9H12N2O2/c1-2-13-8-5-7(12)10-9(11-8)6-3-4-6/h5-6H,2-4H2,1H3,(H,10,11,12)
InChIKeyTZZYSMUICIXNIV-UHFFFAOYSA-N
XLogP1.05
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-ethoxy-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-ethoxy-1H-pyrimidin-6-one (CID 12945284) is 2-cyclopropyl-4-ethoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-ethoxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-ethoxy-1H-pyrimidin-6-one is CCOc1cc(=O)[nH]c(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-4-ethoxy-1H-pyrimidin-6-one?
The InChIKey is TZZYSMUICIXNIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-2-13-8-5-7(12)10-9(11-8)6-3-4-6/h5-6H,2-4H2,1H3,(H,10,11,12).
What are the key properties of 2-cyclopropyl-4-ethoxy-1H-pyrimidin-6-one?
2-cyclopropyl-4-ethoxy-1H-pyrimidin-6-one has a molecular weight of 180.21 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-ethoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 12945284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).