6-(cyclopentylamino)-2-propyl-1H-pyrimidine-4-thione

C12H19N3S — CID 82457343

IUPAC6-(cyclopentylamino)-2-propyl-1H-pyrimidine-4-thione
SMILESCCCc1nc(=S)cc(NC2CCCC2)[nH]1
InChIInChI=1S/C12H19N3S/c1-2-5-10-14-11(8-12(16)15-10)13-9-6-3-4-7-9/h8-9H,2-7H2,1H3,(H2,13,14,15,16)
InChIKeyQHYMVSNWZGCLRX-UHFFFAOYSA-N
MW237.37 g/mol
LogP3.45
Rot. Bonds4

About 6-(cyclopentylamino)-2-propyl-1H-pyrimidine-4-thione

6-(cyclopentylamino)-2-propyl-1H-pyrimidine-4-thione (PubChem CID 82457343) has the molecular formula C12H19N3S and a molecular weight of 237.37 g/mol. Its IUPAC name is 6-(cyclopentylamino)-2-propyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-(cyclopentylamino)-2-propyl-1H-pyrimidine-4-thione
PubChem CID82457343
Molecular FormulaC12H19N3S
Molecular Weight237.37 g/mol
Exact Mass237.13
IUPAC Name6-(cyclopentylamino)-2-propyl-1H-pyrimidine-4-thione
SMILESCCCc1nc(=S)cc(NC2CCCC2)[nH]1
InChIInChI=1S/C12H19N3S/c1-2-5-10-14-11(8-12(16)15-10)13-9-6-3-4-7-9/h8-9H,2-7H2,1H3,(H2,13,14,15,16)
InChIKeyQHYMVSNWZGCLRX-UHFFFAOYSA-N
XLogP3.45
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-(cyclopentylamino)-2-propyl-1H-pyrimidine-4-thione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(cyclopropylamino)-2-(2-methylpropyl)-1H-pyrimidine-4-thione
CID 82457632
6-(propan-2-ylamino)-2-propyl-1H-pyrimidine-4-thione
CID 82457323
2-propyl-6-(pyridin-4-ylmethylamino)-1H-pyrimidine-4-thione
CID 82457360
2-tert-butyl-6-(cyclopropylamino)-1H-pyrimidine-4-thione
CID 82457381
6-[(2-fluorophenyl)methylamino]-2-propyl-1H-pyrimidine-4-thione
CID 82457358
6-(3-imidazol-1-ylpropylamino)-2-propyl-1H-pyrimidine-4-thione
CID 82457376
6-(cyclopentylamino)-1H-pyrimidine-4-thione
CID 82457099
6-tert-butyl-2-propyl-1H-pyrimidine-4-thione
CID 106475830
2-cycloheptyl-6-propyl-1H-pyrimidine-4-thione
CID 106475093
6-(3-cyclopropyloxyphenyl)-2-propyl-1H-pyrimidine-4-thione
CID 106522233
N-cyclohexyl-5,7-dimethyl-2-propylimidazo[1,2-a]pyrimidin-3-amine
CID 809421
2-(2-methylpropyl)-6-(4-pyrrolidin-1-ylbutylamino)-1H-pyrimidine-4-thione
CID 82457647

Frequently Asked Questions

What is the IUPAC name of 6-(cyclopentylamino)-2-propyl-1H-pyrimidine-4-thione?
The IUPAC name of 6-(cyclopentylamino)-2-propyl-1H-pyrimidine-4-thione (CID 82457343) is 6-(cyclopentylamino)-2-propyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-(cyclopentylamino)-2-propyl-1H-pyrimidine-4-thione?
The canonical SMILES for 6-(cyclopentylamino)-2-propyl-1H-pyrimidine-4-thione is CCCc1nc(=S)cc(NC2CCCC2)[nH]1.
What is the InChIKey of 6-(cyclopentylamino)-2-propyl-1H-pyrimidine-4-thione?
The InChIKey is QHYMVSNWZGCLRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3S/c1-2-5-10-14-11(8-12(16)15-10)13-9-6-3-4-7-9/h8-9H,2-7H2,1H3,(H2,13,14,15,16).
What are the key properties of 6-(cyclopentylamino)-2-propyl-1H-pyrimidine-4-thione?
6-(cyclopentylamino)-2-propyl-1H-pyrimidine-4-thione has a molecular weight of 237.37 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopentylamino)-2-propyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 82457343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).