6-(1-methylcyclohexyl)-3H-thieno[3,2-d]pyrimidin-4-one

C13H16N2OS — CID 136762056

IUPAC6-(1-methylcyclohexyl)-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCC1(c2cc3nc[nH]c(=O)c3s2)CCCCC1
InChIInChI=1S/C13H16N2OS/c1-13(5-3-2-4-6-13)10-7-9-11(17-10)12(16)15-8-14-9/h7-8H,2-6H2,1H3,(H,14,15,16)
InChIKeyXRZHZFRJIVIDBO-UHFFFAOYSA-N
MW248.35 g/mol
LogP3.21
Rot. Bonds1

About 6-(1-methylcyclohexyl)-3H-thieno[3,2-d]pyrimidin-4-one

6-(1-methylcyclohexyl)-3H-thieno[3,2-d]pyrimidin-4-one (PubChem CID 136762056) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is 6-(1-methylcyclohexyl)-3H-thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-(1-methylcyclohexyl)-3H-thieno[3,2-d]pyrimidin-4-one
PubChem CID136762056
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC Name6-(1-methylcyclohexyl)-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCC1(c2cc3nc[nH]c(=O)c3s2)CCCCC1
InChIInChI=1S/C13H16N2OS/c1-13(5-3-2-4-6-13)10-7-9-11(17-10)12(16)15-8-14-9/h7-8H,2-6H2,1H3,(H,14,15,16)
InChIKeyXRZHZFRJIVIDBO-UHFFFAOYSA-N
XLogP3.21
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(1-methylcyclohexyl)-3H-thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 6-(1-methylcyclohexyl)-3H-thieno[3,2-d]pyrimidin-4-one (CID 136762056) is 6-(1-methylcyclohexyl)-3H-thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 6-(1-methylcyclohexyl)-3H-thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 6-(1-methylcyclohexyl)-3H-thieno[3,2-d]pyrimidin-4-one is CC1(c2cc3nc[nH]c(=O)c3s2)CCCCC1.
What is the InChIKey of 6-(1-methylcyclohexyl)-3H-thieno[3,2-d]pyrimidin-4-one?
The InChIKey is XRZHZFRJIVIDBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-13(5-3-2-4-6-13)10-7-9-11(17-10)12(16)15-8-14-9/h7-8H,2-6H2,1H3,(H,14,15,16).
What are the key properties of 6-(1-methylcyclohexyl)-3H-thieno[3,2-d]pyrimidin-4-one?
6-(1-methylcyclohexyl)-3H-thieno[3,2-d]pyrimidin-4-one has a molecular weight of 248.35 g/mol, XLogP of 3.21, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-methylcyclohexyl)-3H-thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 136762056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).