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

C11H17N3OS — CID 82457452

IUPAC6-(cyclopentylamino)-2-(methoxymethyl)-1H-pyrimidine-4-thione
SMILESCOCc1nc(=S)cc(NC2CCCC2)[nH]1
InChIInChI=1S/C11H17N3OS/c1-15-7-10-13-9(6-11(16)14-10)12-8-4-2-3-5-8/h6,8H,2-5,7H2,1H3,(H2,12,13,14,16)
InChIKeyKZDDURIAEDQIFA-UHFFFAOYSA-N
MW239.34 g/mol
LogP2.64
Rot. Bonds4

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

6-(cyclopentylamino)-2-(methoxymethyl)-1H-pyrimidine-4-thione (PubChem CID 82457452) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is 6-(cyclopentylamino)-2-(methoxymethyl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-(cyclopentylamino)-2-(methoxymethyl)-1H-pyrimidine-4-thione
PubChem CID82457452
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name6-(cyclopentylamino)-2-(methoxymethyl)-1H-pyrimidine-4-thione
SMILESCOCc1nc(=S)cc(NC2CCCC2)[nH]1
InChIInChI=1S/C11H17N3OS/c1-15-7-10-13-9(6-11(16)14-10)12-8-4-2-3-5-8/h6,8H,2-5,7H2,1H3,(H2,12,13,14,16)
InChIKeyKZDDURIAEDQIFA-UHFFFAOYSA-N
XLogP2.64
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-(cyclopentylamino)-2-(methoxymethyl)-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

Frequently Asked Questions

What is the IUPAC name of 6-(cyclopentylamino)-2-(methoxymethyl)-1H-pyrimidine-4-thione?
The IUPAC name of 6-(cyclopentylamino)-2-(methoxymethyl)-1H-pyrimidine-4-thione (CID 82457452) is 6-(cyclopentylamino)-2-(methoxymethyl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-(cyclopentylamino)-2-(methoxymethyl)-1H-pyrimidine-4-thione?
The canonical SMILES for 6-(cyclopentylamino)-2-(methoxymethyl)-1H-pyrimidine-4-thione is COCc1nc(=S)cc(NC2CCCC2)[nH]1.
What is the InChIKey of 6-(cyclopentylamino)-2-(methoxymethyl)-1H-pyrimidine-4-thione?
The InChIKey is KZDDURIAEDQIFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-15-7-10-13-9(6-11(16)14-10)12-8-4-2-3-5-8/h6,8H,2-5,7H2,1H3,(H2,12,13,14,16).
What are the key properties of 6-(cyclopentylamino)-2-(methoxymethyl)-1H-pyrimidine-4-thione?
6-(cyclopentylamino)-2-(methoxymethyl)-1H-pyrimidine-4-thione has a molecular weight of 239.34 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopentylamino)-2-(methoxymethyl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 82457452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).