6-(cyclopropylamino)-2-(oxolan-2-yl)-1H-pyrimidine-4-thione

C11H15N3OS — CID 82457586

IUPAC6-(cyclopropylamino)-2-(oxolan-2-yl)-1H-pyrimidine-4-thione
SMILESS=c1cc(NC2CC2)[nH]c(C2CCCO2)n1
InChIInChI=1S/C11H15N3OS/c16-10-6-9(12-7-3-4-7)13-11(14-10)8-2-1-5-15-8/h6-8H,1-5H2,(H2,12,13,14,16)
InChIKeyIKFGUZPREUCLBJ-UHFFFAOYSA-N
MW237.33 g/mol
LogP2.56
Rot. Bonds3

About 6-(cyclopropylamino)-2-(oxolan-2-yl)-1H-pyrimidine-4-thione

6-(cyclopropylamino)-2-(oxolan-2-yl)-1H-pyrimidine-4-thione (PubChem CID 82457586) has the molecular formula C11H15N3OS and a molecular weight of 237.33 g/mol. Its IUPAC name is 6-(cyclopropylamino)-2-(oxolan-2-yl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-(cyclopropylamino)-2-(oxolan-2-yl)-1H-pyrimidine-4-thione
PubChem CID82457586
Molecular FormulaC11H15N3OS
Molecular Weight237.33 g/mol
Exact Mass237.09
IUPAC Name6-(cyclopropylamino)-2-(oxolan-2-yl)-1H-pyrimidine-4-thione
SMILESS=c1cc(NC2CC2)[nH]c(C2CCCO2)n1
InChIInChI=1S/C11H15N3OS/c16-10-6-9(12-7-3-4-7)13-11(14-10)8-2-1-5-15-8/h6-8H,1-5H2,(H2,12,13,14,16)
InChIKeyIKFGUZPREUCLBJ-UHFFFAOYSA-N
XLogP2.56
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-(cyclopropylamino)-2-(oxolan-2-yl)-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-(oxolan-2-ylmethylamino)-1H-pyrimidine-4-thione
CID 82457111
2-methyl-6-(oxolan-2-ylmethylamino)-1H-pyrimidine-4-thione
CID 82457174
2-ethyl-6-(oxolan-2-ylmethylamino)-1H-pyrimidine-4-thione
CID 82457236
6-(oxolan-2-ylmethylamino)-2-propan-2-yl-1H-pyrimidine-4-thione
CID 82457297
6-(oxolan-2-ylmethylamino)-2-propyl-1H-pyrimidine-4-thione
CID 82457354
2-tert-butyl-6-(oxolan-2-ylmethylamino)-1H-pyrimidine-4-thione
CID 82457408
2-(methoxymethyl)-6-(oxolan-2-ylmethylamino)-1H-pyrimidine-4-thione
CID 82457463
2-cyclopropyl-6-(oxolan-2-ylmethylamino)-1H-pyrimidine-4-thione
CID 82457521
6-(methylamino)-2-(oxolan-2-yl)-1H-pyrimidine-4-thione
CID 82457583
6-(ethylamino)-2-(oxolan-2-yl)-1H-pyrimidine-4-thione
CID 82457584
2-(oxolan-2-yl)-6-(propan-2-ylamino)-1H-pyrimidine-4-thione
CID 82457585
6-(hexylamino)-2-(oxolan-2-yl)-1H-pyrimidine-4-thione
CID 82457587

Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropylamino)-2-(oxolan-2-yl)-1H-pyrimidine-4-thione?
The IUPAC name of 6-(cyclopropylamino)-2-(oxolan-2-yl)-1H-pyrimidine-4-thione (CID 82457586) is 6-(cyclopropylamino)-2-(oxolan-2-yl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-(cyclopropylamino)-2-(oxolan-2-yl)-1H-pyrimidine-4-thione?
The canonical SMILES for 6-(cyclopropylamino)-2-(oxolan-2-yl)-1H-pyrimidine-4-thione is S=c1cc(NC2CC2)[nH]c(C2CCCO2)n1.
What is the InChIKey of 6-(cyclopropylamino)-2-(oxolan-2-yl)-1H-pyrimidine-4-thione?
The InChIKey is IKFGUZPREUCLBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3OS/c16-10-6-9(12-7-3-4-7)13-11(14-10)8-2-1-5-15-8/h6-8H,1-5H2,(H2,12,13,14,16).
What are the key properties of 6-(cyclopropylamino)-2-(oxolan-2-yl)-1H-pyrimidine-4-thione?
6-(cyclopropylamino)-2-(oxolan-2-yl)-1H-pyrimidine-4-thione has a molecular weight of 237.33 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropylamino)-2-(oxolan-2-yl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 82457586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).