2-cyclopropyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione

C10H12N2S — CID 106477402

IUPAC2-cyclopropyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione
SMILESS=c1nc(C2CC2)[nH]c2c1CCC2
InChIInChI=1S/C10H12N2S/c13-10-7-2-1-3-8(7)11-9(12-10)6-4-5-6/h6H,1-5H2,(H,11,12,13)
InChIKeyXIBREPWNJBYKDR-UHFFFAOYSA-N
MW192.29 g/mol
LogP2.51
Rot. Bonds1

About 2-cyclopropyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione

2-cyclopropyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione (PubChem CID 106477402) has the molecular formula C10H12N2S and a molecular weight of 192.29 g/mol. Its IUPAC name is 2-cyclopropyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione.

Molecular Properties

Compound Name2-cyclopropyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione
PubChem CID106477402
Molecular FormulaC10H12N2S
Molecular Weight192.29 g/mol
Exact Mass192.07
IUPAC Name2-cyclopropyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione
SMILESS=c1nc(C2CC2)[nH]c2c1CCC2
InChIInChI=1S/C10H12N2S/c13-10-7-2-1-3-8(7)11-9(12-10)6-4-5-6/h6H,1-5H2,(H,11,12,13)
InChIKeyXIBREPWNJBYKDR-UHFFFAOYSA-N
XLogP2.51
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.29
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-cycloheptyl-1,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidine-4-thione
CID 106478648
2-(4-methylcyclohexyl)-1,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidine-4-thione
CID 106478596
2-(3-methylcyclopentyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione
CID 106477446
2-(oxolan-2-yl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione
CID 106477562
2-(2-methylcyclopropyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione
CID 106477566
2-(4-methylcyclohexyl)-1,5,7,8-tetrahydropyrano[4,3-d]pyrimidine-4-thione
CID 106482378
2-(2-bicyclo[2.2.1]heptanyl)-1,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidine-4-thione
CID 106478610
2-tert-butyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione
CID 106477330
2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione
CID 106477522
2-(4-propylcyclohexyl)-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidine-4-thione
CID 106482825
2-(4,4-dimethylcyclohexyl)-1,5,7,8-tetrahydropyrano[4,3-d]pyrimidine-4-thione
CID 106482383
2-(1,4-dimethylpiperazin-2-yl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione
CID 106477168

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione?
The IUPAC name of 2-cyclopropyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione (CID 106477402) is 2-cyclopropyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione.
What is the SMILES notation for 2-cyclopropyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione?
The canonical SMILES for 2-cyclopropyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione is S=c1nc(C2CC2)[nH]c2c1CCC2.
What is the InChIKey of 2-cyclopropyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione?
The InChIKey is XIBREPWNJBYKDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2S/c13-10-7-2-1-3-8(7)11-9(12-10)6-4-5-6/h6H,1-5H2,(H,11,12,13).
What are the key properties of 2-cyclopropyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione?
2-cyclopropyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione has a molecular weight of 192.29 g/mol, XLogP of 2.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione is sourced from PubChem (CID 106477402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).