2-cyclopentyl-6-cyclopropyl-1H-pyrimidine-4-thione

C12H16N2S — CID 106478336

IUPAC2-cyclopentyl-6-cyclopropyl-1H-pyrimidine-4-thione
SMILESS=c1cc(C2CC2)[nH]c(C2CCCC2)n1
InChIInChI=1S/C12H16N2S/c15-11-7-10(8-5-6-8)13-12(14-11)9-3-1-2-4-9/h7-9H,1-6H2,(H,13,14,15)
InChIKeyMWDHMDUCCPCAEY-UHFFFAOYSA-N
MW220.34 g/mol
LogP3.67
Rot. Bonds2

About 2-cyclopentyl-6-cyclopropyl-1H-pyrimidine-4-thione

2-cyclopentyl-6-cyclopropyl-1H-pyrimidine-4-thione (PubChem CID 106478336) has the molecular formula C12H16N2S and a molecular weight of 220.34 g/mol. Its IUPAC name is 2-cyclopentyl-6-cyclopropyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-cyclopentyl-6-cyclopropyl-1H-pyrimidine-4-thione
PubChem CID106478336
Molecular FormulaC12H16N2S
Molecular Weight220.34 g/mol
Exact Mass220.10
IUPAC Name2-cyclopentyl-6-cyclopropyl-1H-pyrimidine-4-thione
SMILESS=c1cc(C2CC2)[nH]c(C2CCCC2)n1
InChIInChI=1S/C12H16N2S/c15-11-7-10(8-5-6-8)13-12(14-11)9-3-1-2-4-9/h7-9H,1-6H2,(H,13,14,15)
InChIKeyMWDHMDUCCPCAEY-UHFFFAOYSA-N
XLogP3.67
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 53.67
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

6-cyclopentyl-2-(3,3,3-trifluoropropyl)-1H-pyrimidine-4-thione
CID 106481857
6-cyclopentyl-2-(2,2,2-trifluoroethyl)-1H-pyrimidine-4-thione
CID 113839854
6-cyclopropyl-2-(3,3-difluorocyclopentyl)-1H-pyrimidine-4-thione
CID 114217017
2-cyclopentyl-6-propyl-1H-pyrimidine-4-thione
CID 106475044
2-(4-methylcyclohexyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475050
2-(3-methylbutyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475073
2-(cyclopropylmethyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475085
2-cycloheptyl-6-propyl-1H-pyrimidine-4-thione
CID 106475093
2-cyclopropyl-6-propyl-1H-pyrimidine-4-thione
CID 106475116
2-cyclohexyl-6-propyl-1H-pyrimidine-4-thione
CID 106475149
2-(3-methylcyclohexyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475152
2-(3-methylcyclopentyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475159

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-6-cyclopropyl-1H-pyrimidine-4-thione?
The IUPAC name of 2-cyclopentyl-6-cyclopropyl-1H-pyrimidine-4-thione (CID 106478336) is 2-cyclopentyl-6-cyclopropyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-cyclopentyl-6-cyclopropyl-1H-pyrimidine-4-thione?
The canonical SMILES for 2-cyclopentyl-6-cyclopropyl-1H-pyrimidine-4-thione is S=c1cc(C2CC2)[nH]c(C2CCCC2)n1.
What is the InChIKey of 2-cyclopentyl-6-cyclopropyl-1H-pyrimidine-4-thione?
The InChIKey is MWDHMDUCCPCAEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2S/c15-11-7-10(8-5-6-8)13-12(14-11)9-3-1-2-4-9/h7-9H,1-6H2,(H,13,14,15).
What are the key properties of 2-cyclopentyl-6-cyclopropyl-1H-pyrimidine-4-thione?
2-cyclopentyl-6-cyclopropyl-1H-pyrimidine-4-thione has a molecular weight of 220.34 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-6-cyclopropyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106478336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).