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

C13H16N2O2S — CID 56686602

IUPAC3-(4-methylcyclohexyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione
SMILESCC1CCC(n2c(=O)[nH]c3ccsc3c2=O)CC1
InChIInChI=1S/C13H16N2O2S/c1-8-2-4-9(5-3-8)15-12(16)11-10(6-7-18-11)14-13(15)17/h6-9H,2-5H2,1H3,(H,14,17)
InChIKeyUMPXONDJBWZMJN-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.50
Rot. Bonds1

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

3-(4-methylcyclohexyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione (PubChem CID 56686602) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is 3-(4-methylcyclohexyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-(4-methylcyclohexyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione
PubChem CID56686602
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC Name3-(4-methylcyclohexyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione
SMILESCC1CCC(n2c(=O)[nH]c3ccsc3c2=O)CC1
InChIInChI=1S/C13H16N2O2S/c1-8-2-4-9(5-3-8)15-12(16)11-10(6-7-18-11)14-13(15)17/h6-9H,2-5H2,1H3,(H,14,17)
InChIKeyUMPXONDJBWZMJN-UHFFFAOYSA-N
XLogP2.50
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylcyclohexyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione?
The IUPAC name of 3-(4-methylcyclohexyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione (CID 56686602) is 3-(4-methylcyclohexyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione.
What is the SMILES notation for 3-(4-methylcyclohexyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione?
The canonical SMILES for 3-(4-methylcyclohexyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione is CC1CCC(n2c(=O)[nH]c3ccsc3c2=O)CC1.
What is the InChIKey of 3-(4-methylcyclohexyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione?
The InChIKey is UMPXONDJBWZMJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S/c1-8-2-4-9(5-3-8)15-12(16)11-10(6-7-18-11)14-13(15)17/h6-9H,2-5H2,1H3,(H,14,17).
What are the key properties of 3-(4-methylcyclohexyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione?
3-(4-methylcyclohexyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione has a molecular weight of 264.35 g/mol, XLogP of 2.50, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylcyclohexyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione is sourced from PubChem (CID 56686602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).