2-(4-propylcyclohexyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione

C15H22N2S2 — CID 106481733

IUPAC2-(4-propylcyclohexyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
SMILESCCCC1CCC(c2nc(=S)c3c([nH]2)CSC3)CC1
InChIInChI=1S/C15H22N2S2/c1-2-3-10-4-6-11(7-5-10)14-16-13-9-19-8-12(13)15(18)17-14/h10-11H,2-9H2,1H3,(H,16,17,18)
InChIKeyYUPWTYHHENNQDE-UHFFFAOYSA-N
MW294.49 g/mol
LogP4.96
Rot. Bonds3

About 2-(4-propylcyclohexyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione

2-(4-propylcyclohexyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione (PubChem CID 106481733) has the molecular formula C15H22N2S2 and a molecular weight of 294.49 g/mol. Its IUPAC name is 2-(4-propylcyclohexyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione.

Molecular Properties

Compound Name2-(4-propylcyclohexyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
PubChem CID106481733
Molecular FormulaC15H22N2S2
Molecular Weight294.49 g/mol
Exact Mass294.12
IUPAC Name2-(4-propylcyclohexyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
SMILESCCCC1CCC(c2nc(=S)c3c([nH]2)CSC3)CC1
InChIInChI=1S/C15H22N2S2/c1-2-3-10-4-6-11(7-5-10)14-16-13-9-19-8-12(13)15(18)17-14/h10-11H,2-9H2,1H3,(H,16,17,18)
InChIKeyYUPWTYHHENNQDE-UHFFFAOYSA-N
XLogP4.96
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.49
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-(3,3-difluorocyclohexyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
CID 114217023
2-(4-ethylcyclohexyl)-5,6-dimethyl-1H-pyrimidine-4-thione
CID 106476586
5,6-dimethyl-2-(4-propylcyclohexyl)-1H-pyrimidine-4-thione
CID 106476764
2-cyclopentyl-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
CID 106481531
2-(4-methylcyclohexyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
CID 106481537
2-(4-ethylcyclohexyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
CID 106481541
2-(4,4-dimethylcyclohexyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
CID 106481542
2-(3-methylbutyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
CID 106481562
2-cycloheptyl-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
CID 106481583
2-(4-propan-2-ylcyclohexyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
CID 106481621
2-cyclohexyl-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
CID 106481641
2-(3-methylcyclohexyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
CID 106481649

Frequently Asked Questions

What is the IUPAC name of 2-(4-propylcyclohexyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione?
The IUPAC name of 2-(4-propylcyclohexyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione (CID 106481733) is 2-(4-propylcyclohexyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione.
What is the SMILES notation for 2-(4-propylcyclohexyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione?
The canonical SMILES for 2-(4-propylcyclohexyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione is CCCC1CCC(c2nc(=S)c3c([nH]2)CSC3)CC1.
What is the InChIKey of 2-(4-propylcyclohexyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione?
The InChIKey is YUPWTYHHENNQDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2S2/c1-2-3-10-4-6-11(7-5-10)14-16-13-9-19-8-12(13)15(18)17-14/h10-11H,2-9H2,1H3,(H,16,17,18).
What are the key properties of 2-(4-propylcyclohexyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione?
2-(4-propylcyclohexyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione has a molecular weight of 294.49 g/mol, XLogP of 4.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propylcyclohexyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione is sourced from PubChem (CID 106481733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).