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

C10H12ClFN2S — CID 127053117

IUPAC4-(5-fluoro-3,4-dimethylthiophen-2-yl)-1,4-dihydropyrimidine;hydrochloride
SMILESCc1c(F)sc(C2C=CNC=N2)c1C.Cl
InChIInChI=1S/C10H11FN2S.ClH/c1-6-7(2)10(11)14-9(6)8-3-4-12-5-13-8;/h3-5,8H,1-2H3,(H,12,13);1H
InChIKeyQSGOSZIUJKSHOR-UHFFFAOYSA-N
MW246.74 g/mol
LogP3.11
Rot. Bonds1

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

4-(5-fluoro-3,4-dimethylthiophen-2-yl)-1,4-dihydropyrimidine;hydrochloride (PubChem CID 127053117) has the molecular formula C10H12ClFN2S and a molecular weight of 246.74 g/mol. Its IUPAC name is 4-(5-fluoro-3,4-dimethylthiophen-2-yl)-1,4-dihydropyrimidine;hydrochloride.

Molecular Properties

Compound Name4-(5-fluoro-3,4-dimethylthiophen-2-yl)-1,4-dihydropyrimidine;hydrochloride
PubChem CID127053117
Molecular FormulaC10H12ClFN2S
Molecular Weight246.74 g/mol
Exact Mass246.04
IUPAC Name4-(5-fluoro-3,4-dimethylthiophen-2-yl)-1,4-dihydropyrimidine;hydrochloride
SMILESCc1c(F)sc(C2C=CNC=N2)c1C.Cl
InChIInChI=1S/C10H11FN2S.ClH/c1-6-7(2)10(11)14-9(6)8-3-4-12-5-13-8;/h3-5,8H,1-2H3,(H,12,13);1H
InChIKeyQSGOSZIUJKSHOR-UHFFFAOYSA-N
XLogP3.11
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.74
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-3,4-dimethylthiophen-2-yl)-1,4-dihydropyrimidine;hydrochloride?
The IUPAC name of 4-(5-fluoro-3,4-dimethylthiophen-2-yl)-1,4-dihydropyrimidine;hydrochloride (CID 127053117) is 4-(5-fluoro-3,4-dimethylthiophen-2-yl)-1,4-dihydropyrimidine;hydrochloride.
What is the SMILES notation for 4-(5-fluoro-3,4-dimethylthiophen-2-yl)-1,4-dihydropyrimidine;hydrochloride?
The canonical SMILES for 4-(5-fluoro-3,4-dimethylthiophen-2-yl)-1,4-dihydropyrimidine;hydrochloride is Cc1c(F)sc(C2C=CNC=N2)c1C.Cl.
What is the InChIKey of 4-(5-fluoro-3,4-dimethylthiophen-2-yl)-1,4-dihydropyrimidine;hydrochloride?
The InChIKey is QSGOSZIUJKSHOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2S.ClH/c1-6-7(2)10(11)14-9(6)8-3-4-12-5-13-8;/h3-5,8H,1-2H3,(H,12,13);1H.
What are the key properties of 4-(5-fluoro-3,4-dimethylthiophen-2-yl)-1,4-dihydropyrimidine;hydrochloride?
4-(5-fluoro-3,4-dimethylthiophen-2-yl)-1,4-dihydropyrimidine;hydrochloride has a molecular weight of 246.74 g/mol, XLogP of 3.11, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-3,4-dimethylthiophen-2-yl)-1,4-dihydropyrimidine;hydrochloride is sourced from PubChem (CID 127053117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).