3-(2-bicyclo[2.2.1]heptanylmethyl)pyrimidin-4-one

C12H16N2O — CID 116622758

IUPAC3-(2-bicyclo[2.2.1]heptanylmethyl)pyrimidin-4-one
SMILESO=c1ccncn1CC1CC2CCC1C2
InChIInChI=1S/C12H16N2O/c15-12-3-4-13-8-14(12)7-11-6-9-1-2-10(11)5-9/h3-4,8-11H,1-2,5-7H2
InChIKeyRGONDWLGCHCRML-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.68
Rot. Bonds2

About 3-(2-bicyclo[2.2.1]heptanylmethyl)pyrimidin-4-one

3-(2-bicyclo[2.2.1]heptanylmethyl)pyrimidin-4-one (PubChem CID 116622758) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 3-(2-bicyclo[2.2.1]heptanylmethyl)pyrimidin-4-one.

Molecular Properties

Compound Name3-(2-bicyclo[2.2.1]heptanylmethyl)pyrimidin-4-one
PubChem CID116622758
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name3-(2-bicyclo[2.2.1]heptanylmethyl)pyrimidin-4-one
SMILESO=c1ccncn1CC1CC2CCC1C2
InChIInChI=1S/C12H16N2O/c15-12-3-4-13-8-14(12)7-11-6-9-1-2-10(11)5-9/h3-4,8-11H,1-2,5-7H2
InChIKeyRGONDWLGCHCRML-UHFFFAOYSA-N
XLogP1.68
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 ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-bicyclo[2.2.1]heptanylmethyl)pyrimidin-4-one?
The IUPAC name of 3-(2-bicyclo[2.2.1]heptanylmethyl)pyrimidin-4-one (CID 116622758) is 3-(2-bicyclo[2.2.1]heptanylmethyl)pyrimidin-4-one.
What is the SMILES notation for 3-(2-bicyclo[2.2.1]heptanylmethyl)pyrimidin-4-one?
The canonical SMILES for 3-(2-bicyclo[2.2.1]heptanylmethyl)pyrimidin-4-one is O=c1ccncn1CC1CC2CCC1C2.
What is the InChIKey of 3-(2-bicyclo[2.2.1]heptanylmethyl)pyrimidin-4-one?
The InChIKey is RGONDWLGCHCRML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c15-12-3-4-13-8-14(12)7-11-6-9-1-2-10(11)5-9/h3-4,8-11H,1-2,5-7H2.
What are the key properties of 3-(2-bicyclo[2.2.1]heptanylmethyl)pyrimidin-4-one?
3-(2-bicyclo[2.2.1]heptanylmethyl)pyrimidin-4-one has a molecular weight of 204.27 g/mol, XLogP of 1.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bicyclo[2.2.1]heptanylmethyl)pyrimidin-4-one is sourced from PubChem (CID 116622758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).