4-cyclopropyl-2-(1-phenylcyclobutyl)-1H-pyrimidin-6-one

C17H18N2O — CID 135975537

IUPAC4-cyclopropyl-2-(1-phenylcyclobutyl)-1H-pyrimidin-6-one
SMILESO=c1cc(C2CC2)nc(C2(c3ccccc3)CCC2)[nH]1
InChIInChI=1S/C17H18N2O/c20-15-11-14(12-7-8-12)18-16(19-15)17(9-4-10-17)13-5-2-1-3-6-13/h1-3,5-6,11-12H,4,7-10H2,(H,18,19,20)
InChIKeyQQVFNGNCAWFOTM-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.12
Rot. Bonds3

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

4-cyclopropyl-2-(1-phenylcyclobutyl)-1H-pyrimidin-6-one (PubChem CID 135975537) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 4-cyclopropyl-2-(1-phenylcyclobutyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-cyclopropyl-2-(1-phenylcyclobutyl)-1H-pyrimidin-6-one
PubChem CID135975537
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name4-cyclopropyl-2-(1-phenylcyclobutyl)-1H-pyrimidin-6-one
SMILESO=c1cc(C2CC2)nc(C2(c3ccccc3)CCC2)[nH]1
InChIInChI=1S/C17H18N2O/c20-15-11-14(12-7-8-12)18-16(19-15)17(9-4-10-17)13-5-2-1-3-6-13/h1-3,5-6,11-12H,4,7-10H2,(H,18,19,20)
InChIKeyQQVFNGNCAWFOTM-UHFFFAOYSA-N
XLogP3.12
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 ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-(1-phenylcyclobutyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-cyclopropyl-2-(1-phenylcyclobutyl)-1H-pyrimidin-6-one (CID 135975537) is 4-cyclopropyl-2-(1-phenylcyclobutyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-cyclopropyl-2-(1-phenylcyclobutyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-cyclopropyl-2-(1-phenylcyclobutyl)-1H-pyrimidin-6-one is O=c1cc(C2CC2)nc(C2(c3ccccc3)CCC2)[nH]1.
What is the InChIKey of 4-cyclopropyl-2-(1-phenylcyclobutyl)-1H-pyrimidin-6-one?
The InChIKey is QQVFNGNCAWFOTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c20-15-11-14(12-7-8-12)18-16(19-15)17(9-4-10-17)13-5-2-1-3-6-13/h1-3,5-6,11-12H,4,7-10H2,(H,18,19,20).
What are the key properties of 4-cyclopropyl-2-(1-phenylcyclobutyl)-1H-pyrimidin-6-one?
4-cyclopropyl-2-(1-phenylcyclobutyl)-1H-pyrimidin-6-one has a molecular weight of 266.34 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-(1-phenylcyclobutyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135975537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).