6-cyclopentyl-2-propan-2-yl-1H-pyrimidine-4-thione

C12H18N2S — CID 106481851

IUPAC6-cyclopentyl-2-propan-2-yl-1H-pyrimidine-4-thione
SMILESCC(C)c1nc(=S)cc(C2CCCC2)[nH]1
InChIInChI=1S/C12H18N2S/c1-8(2)12-13-10(7-11(15)14-12)9-5-3-4-6-9/h7-9H,3-6H2,1-2H3,(H,13,14,15)
InChIKeyYBKLJVAVHNUPBQ-UHFFFAOYSA-N
MW222.36 g/mol
LogP3.92
Rot. Bonds2

About 6-cyclopentyl-2-propan-2-yl-1H-pyrimidine-4-thione

6-cyclopentyl-2-propan-2-yl-1H-pyrimidine-4-thione (PubChem CID 106481851) has the molecular formula C12H18N2S and a molecular weight of 222.36 g/mol. Its IUPAC name is 6-cyclopentyl-2-propan-2-yl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-cyclopentyl-2-propan-2-yl-1H-pyrimidine-4-thione
PubChem CID106481851
Molecular FormulaC12H18N2S
Molecular Weight222.36 g/mol
Exact Mass222.12
IUPAC Name6-cyclopentyl-2-propan-2-yl-1H-pyrimidine-4-thione
SMILESCC(C)c1nc(=S)cc(C2CCCC2)[nH]1
InChIInChI=1S/C12H18N2S/c1-8(2)12-13-10(7-11(15)14-12)9-5-3-4-6-9/h7-9H,3-6H2,1-2H3,(H,13,14,15)
InChIKeyYBKLJVAVHNUPBQ-UHFFFAOYSA-N
XLogP3.92
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.36
LogP ≤ 53.92
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-cyclopropyl-2-(1-ethoxypropyl)-1H-pyrimidine-4-thione
CID 106478434
6-cyclopentyl-2-(methylsulfanylmethyl)-1H-pyrimidine-4-thione
CID 106482015
methyl 6-cyclopentyl-4-sulfanylidene-1H-pyrimidine-2-carboxylate
CID 106481835
6-cyclopentyl-2-(1-methoxycyclopentyl)-1H-pyrimidine-4-thione
CID 106481818
6-cyclopentyl-2-(2-methylphenyl)-1H-pyrimidine-4-thione
CID 106481823
2-propan-2-yl-6-(propan-2-ylamino)-1H-pyrimidine-4-thione
CID 82457266
5-bromo-6-cyclopentyl-2-propan-2-yl-1H-pyrimidine-4-thione
CID 106482090
6-cyclopentyl-2-(3,5-dimethyl-2-pyridinyl)-1H-pyrimidine-4-thione
CID 106481815
6-cyclopentyl-2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-1H-pyrimidine-4-thione
CID 106481945
6-cyclopentyl-2-(1,4-dimethyl-1,4-diazepan-2-yl)-1H-pyrimidine-4-thione
CID 106481923
2-(3-bromophenyl)-6-cyclopentyl-1H-pyrimidine-4-thione
CID 106481904
6-cyclopropyl-2-(2-ethoxypropan-2-yl)-1H-pyrimidine-4-thione
CID 106478474

Frequently Asked Questions

What is the IUPAC name of 6-cyclopentyl-2-propan-2-yl-1H-pyrimidine-4-thione?
The IUPAC name of 6-cyclopentyl-2-propan-2-yl-1H-pyrimidine-4-thione (CID 106481851) is 6-cyclopentyl-2-propan-2-yl-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-cyclopentyl-2-propan-2-yl-1H-pyrimidine-4-thione?
The canonical SMILES for 6-cyclopentyl-2-propan-2-yl-1H-pyrimidine-4-thione is CC(C)c1nc(=S)cc(C2CCCC2)[nH]1.
What is the InChIKey of 6-cyclopentyl-2-propan-2-yl-1H-pyrimidine-4-thione?
The InChIKey is YBKLJVAVHNUPBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2S/c1-8(2)12-13-10(7-11(15)14-12)9-5-3-4-6-9/h7-9H,3-6H2,1-2H3,(H,13,14,15).
What are the key properties of 6-cyclopentyl-2-propan-2-yl-1H-pyrimidine-4-thione?
6-cyclopentyl-2-propan-2-yl-1H-pyrimidine-4-thione has a molecular weight of 222.36 g/mol, XLogP of 3.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopentyl-2-propan-2-yl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106481851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).