3-cyclohexyl-5,6-dimethyl-1H-thieno[2,3-d]pyrimidine-2,4-dione

C14H18N2O2S — CID 3075761

IUPAC3-cyclohexyl-5,6-dimethyl-1H-thieno[2,3-d]pyrimidine-2,4-dione
SMILESCc1sc2[nH]c(=O)n(C3CCCCC3)c(=O)c2c1C
InChIInChI=1S/C14H18N2O2S/c1-8-9(2)19-12-11(8)13(17)16(14(18)15-12)10-6-4-3-5-7-10/h10H,3-7H2,1-2H3,(H,15,18)
InChIKeyHWBROHQCIVZOMO-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.87
Rot. Bonds1

About 3-cyclohexyl-5,6-dimethyl-1H-thieno[2,3-d]pyrimidine-2,4-dione

3-cyclohexyl-5,6-dimethyl-1H-thieno[2,3-d]pyrimidine-2,4-dione (PubChem CID 3075761) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is 3-cyclohexyl-5,6-dimethyl-1H-thieno[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-cyclohexyl-5,6-dimethyl-1H-thieno[2,3-d]pyrimidine-2,4-dione
PubChem CID3075761
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Name3-cyclohexyl-5,6-dimethyl-1H-thieno[2,3-d]pyrimidine-2,4-dione
SMILESCc1sc2[nH]c(=O)n(C3CCCCC3)c(=O)c2c1C
InChIInChI=1S/C14H18N2O2S/c1-8-9(2)19-12-11(8)13(17)16(14(18)15-12)10-6-4-3-5-7-10/h10H,3-7H2,1-2H3,(H,15,18)
InChIKeyHWBROHQCIVZOMO-UHFFFAOYSA-N
XLogP2.87
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-5,6-dimethyl-1H-thieno[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 3-cyclohexyl-5,6-dimethyl-1H-thieno[2,3-d]pyrimidine-2,4-dione (CID 3075761) is 3-cyclohexyl-5,6-dimethyl-1H-thieno[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 3-cyclohexyl-5,6-dimethyl-1H-thieno[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 3-cyclohexyl-5,6-dimethyl-1H-thieno[2,3-d]pyrimidine-2,4-dione is Cc1sc2[nH]c(=O)n(C3CCCCC3)c(=O)c2c1C.
What is the InChIKey of 3-cyclohexyl-5,6-dimethyl-1H-thieno[2,3-d]pyrimidine-2,4-dione?
The InChIKey is HWBROHQCIVZOMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-8-9(2)19-12-11(8)13(17)16(14(18)15-12)10-6-4-3-5-7-10/h10H,3-7H2,1-2H3,(H,15,18).
What are the key properties of 3-cyclohexyl-5,6-dimethyl-1H-thieno[2,3-d]pyrimidine-2,4-dione?
3-cyclohexyl-5,6-dimethyl-1H-thieno[2,3-d]pyrimidine-2,4-dione has a molecular weight of 278.38 g/mol, XLogP of 2.87, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-5,6-dimethyl-1H-thieno[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 3075761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).