4-(3-cyclobutylphenyl)-2-cyclopropyl-1H-pyrimidin-6-one

C17H18N2O — CID 136770354

IUPAC4-(3-cyclobutylphenyl)-2-cyclopropyl-1H-pyrimidin-6-one
SMILESO=c1cc(-c2cccc(C3CCC3)c2)nc(C2CC2)[nH]1
InChIInChI=1S/C17H18N2O/c20-16-10-15(18-17(19-16)12-7-8-12)14-6-2-5-13(9-14)11-3-1-4-11/h2,5-6,9-12H,1,3-4,7-8H2,(H,18,19,20)
InChIKeyFZJVYRUXVXFSKC-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.58
Rot. Bonds3

About 4-(3-cyclobutylphenyl)-2-cyclopropyl-1H-pyrimidin-6-one

4-(3-cyclobutylphenyl)-2-cyclopropyl-1H-pyrimidin-6-one (PubChem CID 136770354) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 4-(3-cyclobutylphenyl)-2-cyclopropyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(3-cyclobutylphenyl)-2-cyclopropyl-1H-pyrimidin-6-one
PubChem CID136770354
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name4-(3-cyclobutylphenyl)-2-cyclopropyl-1H-pyrimidin-6-one
SMILESO=c1cc(-c2cccc(C3CCC3)c2)nc(C2CC2)[nH]1
InChIInChI=1S/C17H18N2O/c20-16-10-15(18-17(19-16)12-7-8-12)14-6-2-5-13(9-14)11-3-1-4-11/h2,5-6,9-12H,1,3-4,7-8H2,(H,18,19,20)
InChIKeyFZJVYRUXVXFSKC-UHFFFAOYSA-N
XLogP3.58
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclobutylphenyl)-2-cyclopropyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(3-cyclobutylphenyl)-2-cyclopropyl-1H-pyrimidin-6-one (CID 136770354) is 4-(3-cyclobutylphenyl)-2-cyclopropyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(3-cyclobutylphenyl)-2-cyclopropyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(3-cyclobutylphenyl)-2-cyclopropyl-1H-pyrimidin-6-one is O=c1cc(-c2cccc(C3CCC3)c2)nc(C2CC2)[nH]1.
What is the InChIKey of 4-(3-cyclobutylphenyl)-2-cyclopropyl-1H-pyrimidin-6-one?
The InChIKey is FZJVYRUXVXFSKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c20-16-10-15(18-17(19-16)12-7-8-12)14-6-2-5-13(9-14)11-3-1-4-11/h2,5-6,9-12H,1,3-4,7-8H2,(H,18,19,20).
What are the key properties of 4-(3-cyclobutylphenyl)-2-cyclopropyl-1H-pyrimidin-6-one?
4-(3-cyclobutylphenyl)-2-cyclopropyl-1H-pyrimidin-6-one has a molecular weight of 266.34 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclobutylphenyl)-2-cyclopropyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136770354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).