3-(2-bicyclo[2.2.1]heptanylmethyl)-6-chloropyrimidin-4-one

C12H15ClN2O — CID 114582339

IUPAC3-(2-bicyclo[2.2.1]heptanylmethyl)-6-chloropyrimidin-4-one
SMILESO=c1cc(Cl)ncn1CC1CC2CCC1C2
InChIInChI=1S/C12H15ClN2O/c13-11-5-12(16)15(7-14-11)6-10-4-8-1-2-9(10)3-8/h5,7-10H,1-4,6H2
InChIKeyWPXIANYZKFJGTD-UHFFFAOYSA-N
MW238.72 g/mol
LogP2.33
Rot. Bonds2

About 3-(2-bicyclo[2.2.1]heptanylmethyl)-6-chloropyrimidin-4-one

3-(2-bicyclo[2.2.1]heptanylmethyl)-6-chloropyrimidin-4-one (PubChem CID 114582339) has the molecular formula C12H15ClN2O and a molecular weight of 238.72 g/mol. Its IUPAC name is 3-(2-bicyclo[2.2.1]heptanylmethyl)-6-chloropyrimidin-4-one.

Molecular Properties

Compound Name3-(2-bicyclo[2.2.1]heptanylmethyl)-6-chloropyrimidin-4-one
PubChem CID114582339
Molecular FormulaC12H15ClN2O
Molecular Weight238.72 g/mol
Exact Mass238.09
IUPAC Name3-(2-bicyclo[2.2.1]heptanylmethyl)-6-chloropyrimidin-4-one
SMILESO=c1cc(Cl)ncn1CC1CC2CCC1C2
InChIInChI=1S/C12H15ClN2O/c13-11-5-12(16)15(7-14-11)6-10-4-8-1-2-9(10)3-8/h5,7-10H,1-4,6H2
InChIKeyWPXIANYZKFJGTD-UHFFFAOYSA-N
XLogP2.33
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.72
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-Bicyclo[2.2.1]heptanylmethyl)-5-bromopyrimidin-4-one
CID 79561969
3-(2-Bicyclo[2.2.1]heptanylmethyl)-5-iodopyrimidin-4-one
CID 79562270
3-(2-Bicyclo[2.2.1]heptanylmethyl)-6-chloro-2-cyclopropylpyrimidin-4-one
CID 113604574
3-(2-Bicyclo[2.2.1]heptanylmethyl)-6-chloro-2-methylpyrimidin-4-one
CID 114581899
5-Amino-3-(2-bicyclo[2.2.1]heptanylmethyl)-6-chloropyrimidin-4-one
CID 114582770
3-(2-Bicyclo[2.2.1]heptanylmethyl)-5,6-dichloropyrimidin-4-one
CID 114583197
3-(2-Bicyclo[2.2.1]heptanylmethyl)-5-bromo-6-chloropyrimidin-4-one
CID 114583625
3-(2-Bicyclo[2.2.1]heptanylmethyl)-6-chloro-5-iodopyrimidin-4-one
CID 114584051
3-(2-Bicyclo[2.2.1]heptanylmethyl)-6-chloro-2-ethylpyrimidin-4-one
CID 114584409
3-(2-Bicyclo[2.2.1]heptanylmethyl)-6-chloro-2-propan-2-ylpyrimidin-4-one
CID 114585022
3-(2-Bicyclo[2.2.1]heptanylmethyl)pyrimidin-4-one
CID 116622758

Frequently Asked Questions

What is the IUPAC name of 3-(2-bicyclo[2.2.1]heptanylmethyl)-6-chloropyrimidin-4-one?
The IUPAC name of 3-(2-bicyclo[2.2.1]heptanylmethyl)-6-chloropyrimidin-4-one (CID 114582339) is 3-(2-bicyclo[2.2.1]heptanylmethyl)-6-chloropyrimidin-4-one.
What is the SMILES notation for 3-(2-bicyclo[2.2.1]heptanylmethyl)-6-chloropyrimidin-4-one?
The canonical SMILES for 3-(2-bicyclo[2.2.1]heptanylmethyl)-6-chloropyrimidin-4-one is O=c1cc(Cl)ncn1CC1CC2CCC1C2.
What is the InChIKey of 3-(2-bicyclo[2.2.1]heptanylmethyl)-6-chloropyrimidin-4-one?
The InChIKey is WPXIANYZKFJGTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O/c13-11-5-12(16)15(7-14-11)6-10-4-8-1-2-9(10)3-8/h5,7-10H,1-4,6H2.
What are the key properties of 3-(2-bicyclo[2.2.1]heptanylmethyl)-6-chloropyrimidin-4-one?
3-(2-bicyclo[2.2.1]heptanylmethyl)-6-chloropyrimidin-4-one has a molecular weight of 238.72 g/mol, XLogP of 2.33, 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)-6-chloropyrimidin-4-one is sourced from PubChem (CID 114582339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).