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

C14H19ClN2O — CID 114584409

IUPAC3-(2-bicyclo[2.2.1]heptanylmethyl)-6-chloro-2-ethylpyrimidin-4-one
SMILESCCc1nc(Cl)cc(=O)n1CC1CC2CCC1C2
InChIInChI=1S/C14H19ClN2O/c1-2-13-16-12(15)7-14(18)17(13)8-11-6-9-3-4-10(11)5-9/h7,9-11H,2-6,8H2,1H3
InChIKeyGGCHFKYBSIHRJW-UHFFFAOYSA-N
MW266.77 g/mol
LogP2.90
Rot. Bonds3

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

3-(2-bicyclo[2.2.1]heptanylmethyl)-6-chloro-2-ethylpyrimidin-4-one (PubChem CID 114584409) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is 3-(2-bicyclo[2.2.1]heptanylmethyl)-6-chloro-2-ethylpyrimidin-4-one.

Molecular Properties

Compound Name3-(2-bicyclo[2.2.1]heptanylmethyl)-6-chloro-2-ethylpyrimidin-4-one
PubChem CID114584409
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name3-(2-bicyclo[2.2.1]heptanylmethyl)-6-chloro-2-ethylpyrimidin-4-one
SMILESCCc1nc(Cl)cc(=O)n1CC1CC2CCC1C2
InChIInChI=1S/C14H19ClN2O/c1-2-13-16-12(15)7-14(18)17(13)8-11-6-9-3-4-10(11)5-9/h7,9-11H,2-6,8H2,1H3
InChIKeyGGCHFKYBSIHRJW-UHFFFAOYSA-N
XLogP2.90
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 52.90
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)-6-chloro-2-ethylpyrimidin-4-one?
The IUPAC name of 3-(2-bicyclo[2.2.1]heptanylmethyl)-6-chloro-2-ethylpyrimidin-4-one (CID 114584409) is 3-(2-bicyclo[2.2.1]heptanylmethyl)-6-chloro-2-ethylpyrimidin-4-one.
What is the SMILES notation for 3-(2-bicyclo[2.2.1]heptanylmethyl)-6-chloro-2-ethylpyrimidin-4-one?
The canonical SMILES for 3-(2-bicyclo[2.2.1]heptanylmethyl)-6-chloro-2-ethylpyrimidin-4-one is CCc1nc(Cl)cc(=O)n1CC1CC2CCC1C2.
What is the InChIKey of 3-(2-bicyclo[2.2.1]heptanylmethyl)-6-chloro-2-ethylpyrimidin-4-one?
The InChIKey is GGCHFKYBSIHRJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-2-13-16-12(15)7-14(18)17(13)8-11-6-9-3-4-10(11)5-9/h7,9-11H,2-6,8H2,1H3.
What are the key properties of 3-(2-bicyclo[2.2.1]heptanylmethyl)-6-chloro-2-ethylpyrimidin-4-one?
3-(2-bicyclo[2.2.1]heptanylmethyl)-6-chloro-2-ethylpyrimidin-4-one has a molecular weight of 266.77 g/mol, XLogP of 2.90, 3 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-chloro-2-ethylpyrimidin-4-one is sourced from PubChem (CID 114584409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).