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

C10H13ClN2S — CID 127049594

IUPAC4-(5-ethylthiophen-2-yl)-1,4-dihydropyrimidine;hydrochloride
SMILESCCc1ccc(C2C=CNC=N2)s1.Cl
InChIInChI=1S/C10H12N2S.ClH/c1-2-8-3-4-10(13-8)9-5-6-11-7-12-9;/h3-7,9H,2H2,1H3,(H,11,12);1H
InChIKeyKMFZHUCXOVQDES-UHFFFAOYSA-N
MW228.75 g/mol
LogP2.92
Rot. Bonds2

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

4-(5-ethylthiophen-2-yl)-1,4-dihydropyrimidine;hydrochloride (PubChem CID 127049594) has the molecular formula C10H13ClN2S and a molecular weight of 228.75 g/mol. Its IUPAC name is 4-(5-ethylthiophen-2-yl)-1,4-dihydropyrimidine;hydrochloride.

Molecular Properties

Compound Name4-(5-ethylthiophen-2-yl)-1,4-dihydropyrimidine;hydrochloride
PubChem CID127049594
Molecular FormulaC10H13ClN2S
Molecular Weight228.75 g/mol
Exact Mass228.05
IUPAC Name4-(5-ethylthiophen-2-yl)-1,4-dihydropyrimidine;hydrochloride
SMILESCCc1ccc(C2C=CNC=N2)s1.Cl
InChIInChI=1S/C10H12N2S.ClH/c1-2-8-3-4-10(13-8)9-5-6-11-7-12-9;/h3-7,9H,2H2,1H3,(H,11,12);1H
InChIKeyKMFZHUCXOVQDES-UHFFFAOYSA-N
XLogP2.92
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.75
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(5-ethylthiophen-2-yl)-1,4-dihydropyrimidine;hydrochloride?
The IUPAC name of 4-(5-ethylthiophen-2-yl)-1,4-dihydropyrimidine;hydrochloride (CID 127049594) is 4-(5-ethylthiophen-2-yl)-1,4-dihydropyrimidine;hydrochloride.
What is the SMILES notation for 4-(5-ethylthiophen-2-yl)-1,4-dihydropyrimidine;hydrochloride?
The canonical SMILES for 4-(5-ethylthiophen-2-yl)-1,4-dihydropyrimidine;hydrochloride is CCc1ccc(C2C=CNC=N2)s1.Cl.
What is the InChIKey of 4-(5-ethylthiophen-2-yl)-1,4-dihydropyrimidine;hydrochloride?
The InChIKey is KMFZHUCXOVQDES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2S.ClH/c1-2-8-3-4-10(13-8)9-5-6-11-7-12-9;/h3-7,9H,2H2,1H3,(H,11,12);1H.
What are the key properties of 4-(5-ethylthiophen-2-yl)-1,4-dihydropyrimidine;hydrochloride?
4-(5-ethylthiophen-2-yl)-1,4-dihydropyrimidine;hydrochloride has a molecular weight of 228.75 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-ethylthiophen-2-yl)-1,4-dihydropyrimidine;hydrochloride is sourced from PubChem (CID 127049594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).