4-(2,5-dimethylthiophen-3-yl)-1,4-dihydropyrimidine;hydrochloride

C10H13ClN2S — CID 127052655

IUPAC4-(2,5-dimethylthiophen-3-yl)-1,4-dihydropyrimidine;hydrochloride
SMILESCc1cc(C2C=CNC=N2)c(C)s1.Cl
InChIInChI=1S/C10H12N2S.ClH/c1-7-5-9(8(2)13-7)10-3-4-11-6-12-10;/h3-6,10H,1-2H3,(H,11,12);1H
InChIKeyZOWXAGKEABVIBM-UHFFFAOYSA-N
MW228.75 g/mol
LogP2.97
Rot. Bonds1

About 4-(2,5-dimethylthiophen-3-yl)-1,4-dihydropyrimidine;hydrochloride

4-(2,5-dimethylthiophen-3-yl)-1,4-dihydropyrimidine;hydrochloride (PubChem CID 127052655) has the molecular formula C10H13ClN2S and a molecular weight of 228.75 g/mol. Its IUPAC name is 4-(2,5-dimethylthiophen-3-yl)-1,4-dihydropyrimidine;hydrochloride.

Molecular Properties

Compound Name4-(2,5-dimethylthiophen-3-yl)-1,4-dihydropyrimidine;hydrochloride
PubChem CID127052655
Molecular FormulaC10H13ClN2S
Molecular Weight228.75 g/mol
Exact Mass228.05
IUPAC Name4-(2,5-dimethylthiophen-3-yl)-1,4-dihydropyrimidine;hydrochloride
SMILESCc1cc(C2C=CNC=N2)c(C)s1.Cl
InChIInChI=1S/C10H12N2S.ClH/c1-7-5-9(8(2)13-7)10-3-4-11-6-12-10;/h3-6,10H,1-2H3,(H,11,12);1H
InChIKeyZOWXAGKEABVIBM-UHFFFAOYSA-N
XLogP2.97
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.75
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(2,5-dimethylthiophen-3-yl)-1,4-dihydropyrimidine;hydrochloride 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-dimethylthiophen-3-yl)-1,4-dihydropyrimidine;hydrochloride?
The IUPAC name of 4-(2,5-dimethylthiophen-3-yl)-1,4-dihydropyrimidine;hydrochloride (CID 127052655) is 4-(2,5-dimethylthiophen-3-yl)-1,4-dihydropyrimidine;hydrochloride.
What is the SMILES notation for 4-(2,5-dimethylthiophen-3-yl)-1,4-dihydropyrimidine;hydrochloride?
The canonical SMILES for 4-(2,5-dimethylthiophen-3-yl)-1,4-dihydropyrimidine;hydrochloride is Cc1cc(C2C=CNC=N2)c(C)s1.Cl.
What is the InChIKey of 4-(2,5-dimethylthiophen-3-yl)-1,4-dihydropyrimidine;hydrochloride?
The InChIKey is ZOWXAGKEABVIBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2S.ClH/c1-7-5-9(8(2)13-7)10-3-4-11-6-12-10;/h3-6,10H,1-2H3,(H,11,12);1H.
What are the key properties of 4-(2,5-dimethylthiophen-3-yl)-1,4-dihydropyrimidine;hydrochloride?
4-(2,5-dimethylthiophen-3-yl)-1,4-dihydropyrimidine;hydrochloride has a molecular weight of 228.75 g/mol, XLogP of 2.97, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylthiophen-3-yl)-1,4-dihydropyrimidine;hydrochloride is sourced from PubChem (CID 127052655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).