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

C14H16N2OS — CID 116620765

IUPAC3-(2-bicyclo[2.2.1]heptanylmethyl)thieno[3,2-d]pyrimidin-4-one
SMILESO=c1c2sccc2ncn1CC1CC2CCC1C2
InChIInChI=1S/C14H16N2OS/c17-14-13-12(3-4-18-13)15-8-16(14)7-11-6-9-1-2-10(11)5-9/h3-4,8-11H,1-2,5-7H2
InChIKeyJGJXEQIVRYCUNZ-UHFFFAOYSA-N
MW260.36 g/mol
LogP2.89
Rot. Bonds2

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

3-(2-bicyclo[2.2.1]heptanylmethyl)thieno[3,2-d]pyrimidin-4-one (PubChem CID 116620765) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is 3-(2-bicyclo[2.2.1]heptanylmethyl)thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-(2-bicyclo[2.2.1]heptanylmethyl)thieno[3,2-d]pyrimidin-4-one
PubChem CID116620765
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC Name3-(2-bicyclo[2.2.1]heptanylmethyl)thieno[3,2-d]pyrimidin-4-one
SMILESO=c1c2sccc2ncn1CC1CC2CCC1C2
InChIInChI=1S/C14H16N2OS/c17-14-13-12(3-4-18-13)15-8-16(14)7-11-6-9-1-2-10(11)5-9/h3-4,8-11H,1-2,5-7H2
InChIKeyJGJXEQIVRYCUNZ-UHFFFAOYSA-N
XLogP2.89
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-bicyclo[2.2.1]heptanylmethyl)thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-(2-bicyclo[2.2.1]heptanylmethyl)thieno[3,2-d]pyrimidin-4-one (CID 116620765) is 3-(2-bicyclo[2.2.1]heptanylmethyl)thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-(2-bicyclo[2.2.1]heptanylmethyl)thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-(2-bicyclo[2.2.1]heptanylmethyl)thieno[3,2-d]pyrimidin-4-one is O=c1c2sccc2ncn1CC1CC2CCC1C2.
What is the InChIKey of 3-(2-bicyclo[2.2.1]heptanylmethyl)thieno[3,2-d]pyrimidin-4-one?
The InChIKey is JGJXEQIVRYCUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c17-14-13-12(3-4-18-13)15-8-16(14)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)thieno[3,2-d]pyrimidin-4-one?
3-(2-bicyclo[2.2.1]heptanylmethyl)thieno[3,2-d]pyrimidin-4-one has a molecular weight of 260.36 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bicyclo[2.2.1]heptanylmethyl)thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 116620765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).