3-(cyclohexylmethyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione

C13H16N2O2S — CID 56686607

IUPAC3-(cyclohexylmethyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione
SMILESO=c1[nH]c2ccsc2c(=O)n1CC1CCCCC1
InChIInChI=1S/C13H16N2O2S/c16-12-11-10(6-7-18-11)14-13(17)15(12)8-9-4-2-1-3-5-9/h6-7,9H,1-5,8H2,(H,14,17)
InChIKeyFPENQHGSWMCSEV-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.33
Rot. Bonds2

About 3-(cyclohexylmethyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione

3-(cyclohexylmethyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione (PubChem CID 56686607) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is 3-(cyclohexylmethyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-(cyclohexylmethyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione
PubChem CID56686607
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC Name3-(cyclohexylmethyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione
SMILESO=c1[nH]c2ccsc2c(=O)n1CC1CCCCC1
InChIInChI=1S/C13H16N2O2S/c16-12-11-10(6-7-18-11)14-13(17)15(12)8-9-4-2-1-3-5-9/h6-7,9H,1-5,8H2,(H,14,17)
InChIKeyFPENQHGSWMCSEV-UHFFFAOYSA-N
XLogP2.33
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylmethyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione?
The IUPAC name of 3-(cyclohexylmethyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione (CID 56686607) is 3-(cyclohexylmethyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione.
What is the SMILES notation for 3-(cyclohexylmethyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione?
The canonical SMILES for 3-(cyclohexylmethyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione is O=c1[nH]c2ccsc2c(=O)n1CC1CCCCC1.
What is the InChIKey of 3-(cyclohexylmethyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione?
The InChIKey is FPENQHGSWMCSEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S/c16-12-11-10(6-7-18-11)14-13(17)15(12)8-9-4-2-1-3-5-9/h6-7,9H,1-5,8H2,(H,14,17).
What are the key properties of 3-(cyclohexylmethyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione?
3-(cyclohexylmethyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione has a molecular weight of 264.35 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylmethyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione is sourced from PubChem (CID 56686607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).