4-(2,5-dimethylpyrazol-3-yl)sulfanyl-N-ethylquinazolin-2-amine

C15H17N5S — CID 80887617

IUPAC4-(2,5-dimethylpyrazol-3-yl)sulfanyl-N-ethylquinazolin-2-amine
SMILESCCNc1nc(Sc2cc(C)nn2C)c2ccccc2n1
InChIInChI=1S/C15H17N5S/c1-4-16-15-17-12-8-6-5-7-11(12)14(18-15)21-13-9-10(2)19-20(13)3/h5-9H,4H2,1-3H3,(H,16,17,18)
InChIKeyXOPAWTHPDZJRCC-UHFFFAOYSA-N
MW299.40 g/mol
LogP3.25
Rot. Bonds4

About 4-(2,5-dimethylpyrazol-3-yl)sulfanyl-N-ethylquinazolin-2-amine

4-(2,5-dimethylpyrazol-3-yl)sulfanyl-N-ethylquinazolin-2-amine (PubChem CID 80887617) has the molecular formula C15H17N5S and a molecular weight of 299.40 g/mol. Its IUPAC name is 4-(2,5-dimethylpyrazol-3-yl)sulfanyl-N-ethylquinazolin-2-amine.

Molecular Properties

Compound Name4-(2,5-dimethylpyrazol-3-yl)sulfanyl-N-ethylquinazolin-2-amine
PubChem CID80887617
Molecular FormulaC15H17N5S
Molecular Weight299.40 g/mol
Exact Mass299.12
IUPAC Name4-(2,5-dimethylpyrazol-3-yl)sulfanyl-N-ethylquinazolin-2-amine
SMILESCCNc1nc(Sc2cc(C)nn2C)c2ccccc2n1
InChIInChI=1S/C15H17N5S/c1-4-16-15-17-12-8-6-5-7-11(12)14(18-15)21-13-9-10(2)19-20(13)3/h5-9H,4H2,1-3H3,(H,16,17,18)
InChIKeyXOPAWTHPDZJRCC-UHFFFAOYSA-N
XLogP3.25
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(2,5-dimethylpyrazol-3-yl)sulfanyl-N-ethylquinazolin-2-amine 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 4-(2,5-dimethylpyrazol-3-yl)sulfanyl-N-ethylquinazolin-2-amine?
The IUPAC name of 4-(2,5-dimethylpyrazol-3-yl)sulfanyl-N-ethylquinazolin-2-amine (CID 80887617) is 4-(2,5-dimethylpyrazol-3-yl)sulfanyl-N-ethylquinazolin-2-amine.
What is the SMILES notation for 4-(2,5-dimethylpyrazol-3-yl)sulfanyl-N-ethylquinazolin-2-amine?
The canonical SMILES for 4-(2,5-dimethylpyrazol-3-yl)sulfanyl-N-ethylquinazolin-2-amine is CCNc1nc(Sc2cc(C)nn2C)c2ccccc2n1.
What is the InChIKey of 4-(2,5-dimethylpyrazol-3-yl)sulfanyl-N-ethylquinazolin-2-amine?
The InChIKey is XOPAWTHPDZJRCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5S/c1-4-16-15-17-12-8-6-5-7-11(12)14(18-15)21-13-9-10(2)19-20(13)3/h5-9H,4H2,1-3H3,(H,16,17,18).
What are the key properties of 4-(2,5-dimethylpyrazol-3-yl)sulfanyl-N-ethylquinazolin-2-amine?
4-(2,5-dimethylpyrazol-3-yl)sulfanyl-N-ethylquinazolin-2-amine has a molecular weight of 299.40 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylpyrazol-3-yl)sulfanyl-N-ethylquinazolin-2-amine is sourced from PubChem (CID 80887617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).