3,6-di(cyclobutyl)pyrimidin-4-one

C12H16N2O — CID 126857661

IUPAC3,6-di(cyclobutyl)pyrimidin-4-one
SMILESO=c1cc(C2CCC2)ncn1C1CCC1
InChIInChI=1S/C12H16N2O/c15-12-7-11(9-3-1-4-9)13-8-14(12)10-5-2-6-10/h7-10H,1-6H2
InChIKeyUDKGOXPKXFMQEX-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.24
Rot. Bonds2

About 3,6-di(cyclobutyl)pyrimidin-4-one

3,6-di(cyclobutyl)pyrimidin-4-one (PubChem CID 126857661) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 3,6-di(cyclobutyl)pyrimidin-4-one.

Molecular Properties

Compound Name3,6-di(cyclobutyl)pyrimidin-4-one
PubChem CID126857661
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name3,6-di(cyclobutyl)pyrimidin-4-one
SMILESO=c1cc(C2CCC2)ncn1C1CCC1
InChIInChI=1S/C12H16N2O/c15-12-7-11(9-3-1-4-9)13-8-14(12)10-5-2-6-10/h7-10H,1-6H2
InChIKeyUDKGOXPKXFMQEX-UHFFFAOYSA-N
XLogP2.24
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,6-di(cyclobutyl)pyrimidin-4-one?
The IUPAC name of 3,6-di(cyclobutyl)pyrimidin-4-one (CID 126857661) is 3,6-di(cyclobutyl)pyrimidin-4-one.
What is the SMILES notation for 3,6-di(cyclobutyl)pyrimidin-4-one?
The canonical SMILES for 3,6-di(cyclobutyl)pyrimidin-4-one is O=c1cc(C2CCC2)ncn1C1CCC1.
What is the InChIKey of 3,6-di(cyclobutyl)pyrimidin-4-one?
The InChIKey is UDKGOXPKXFMQEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c15-12-7-11(9-3-1-4-9)13-8-14(12)10-5-2-6-10/h7-10H,1-6H2.
What are the key properties of 3,6-di(cyclobutyl)pyrimidin-4-one?
3,6-di(cyclobutyl)pyrimidin-4-one has a molecular weight of 204.27 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-di(cyclobutyl)pyrimidin-4-one is sourced from PubChem (CID 126857661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).