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

C9H12N2O — CID 130056132

IUPAC4-cyclopropyl-6-ethyl-1H-pyrimidin-2-one
SMILESCCc1cc(C2CC2)nc(=O)[nH]1
InChIInChI=1S/C9H12N2O/c1-2-7-5-8(6-3-4-6)11-9(12)10-7/h5-6H,2-4H2,1H3,(H,10,11,12)
InChIKeyLYPBHXDYESEJPQ-UHFFFAOYSA-N
MW164.21 g/mol
LogP1.21
Rot. Bonds2

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

4-cyclopropyl-6-ethyl-1H-pyrimidin-2-one (PubChem CID 130056132) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 4-cyclopropyl-6-ethyl-1H-pyrimidin-2-one.

Molecular Properties

Compound Name4-cyclopropyl-6-ethyl-1H-pyrimidin-2-one
PubChem CID130056132
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name4-cyclopropyl-6-ethyl-1H-pyrimidin-2-one
SMILESCCc1cc(C2CC2)nc(=O)[nH]1
InChIInChI=1S/C9H12N2O/c1-2-7-5-8(6-3-4-6)11-9(12)10-7/h5-6H,2-4H2,1H3,(H,10,11,12)
InChIKeyLYPBHXDYESEJPQ-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 4-cyclopropyl-6-ethyl-1H-pyrimidin-2-one?
The IUPAC name of 4-cyclopropyl-6-ethyl-1H-pyrimidin-2-one (CID 130056132) is 4-cyclopropyl-6-ethyl-1H-pyrimidin-2-one.
What is the SMILES notation for 4-cyclopropyl-6-ethyl-1H-pyrimidin-2-one?
The canonical SMILES for 4-cyclopropyl-6-ethyl-1H-pyrimidin-2-one is CCc1cc(C2CC2)nc(=O)[nH]1.
What is the InChIKey of 4-cyclopropyl-6-ethyl-1H-pyrimidin-2-one?
The InChIKey is LYPBHXDYESEJPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-2-7-5-8(6-3-4-6)11-9(12)10-7/h5-6H,2-4H2,1H3,(H,10,11,12).
What are the key properties of 4-cyclopropyl-6-ethyl-1H-pyrimidin-2-one?
4-cyclopropyl-6-ethyl-1H-pyrimidin-2-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 4-cyclopropyl-6-ethyl-1H-pyrimidin-2-one is sourced from PubChem (CID 130056132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).