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

C14H15ClN2S — CID 127050713

IUPAC5-methyl-4-(2-methyl-1-benzothiophen-3-yl)-1,4-dihydropyrimidine;hydrochloride
SMILESCC1=CNC=NC1c1c(C)sc2ccccc12.Cl
InChIInChI=1S/C14H14N2S.ClH/c1-9-7-15-8-16-14(9)13-10(2)17-12-6-4-3-5-11(12)13;/h3-8,14H,1-2H3,(H,15,16);1H
InChIKeyXZGNAJZHDMXYFP-UHFFFAOYSA-N
MW278.81 g/mol
LogP4.21
Rot. Bonds1

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

5-methyl-4-(2-methyl-1-benzothiophen-3-yl)-1,4-dihydropyrimidine;hydrochloride (PubChem CID 127050713) has the molecular formula C14H15ClN2S and a molecular weight of 278.81 g/mol. Its IUPAC name is 5-methyl-4-(2-methyl-1-benzothiophen-3-yl)-1,4-dihydropyrimidine;hydrochloride.

Molecular Properties

Compound Name5-methyl-4-(2-methyl-1-benzothiophen-3-yl)-1,4-dihydropyrimidine;hydrochloride
PubChem CID127050713
Molecular FormulaC14H15ClN2S
Molecular Weight278.81 g/mol
Exact Mass278.06
IUPAC Name5-methyl-4-(2-methyl-1-benzothiophen-3-yl)-1,4-dihydropyrimidine;hydrochloride
SMILESCC1=CNC=NC1c1c(C)sc2ccccc12.Cl
InChIInChI=1S/C14H14N2S.ClH/c1-9-7-15-8-16-14(9)13-10(2)17-12-6-4-3-5-11(12)13;/h3-8,14H,1-2H3,(H,15,16);1H
InChIKeyXZGNAJZHDMXYFP-UHFFFAOYSA-N
XLogP4.21
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.81
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Methyl-1,2,3,4-tetrahydro{1}benzothieno{3,2-c}pyridine
CID 193900
(4S)-4-(2-methyl-1-benzothiophen-3-yl)-1,4-dihydropyrimidine
CID 89750383
((1-Benzothiophen-2-yl)methyl)(methyl)amine hydrochloride
CID 16956076
(3S)-3-methyl-1,2,3,4-tetrahydro-[1]benzothiolo[3,2-c]pyridine
CID 44363303
4-(3-Methyl-1-benzothiophen-2-yl)-1,4-dihydropyrimidine;hydrochloride
CID 127049595
4-(3-Chloro-1-benzothiophen-2-yl)-1,4-dihydropyrimidine;hydrochloride
CID 127049596
4-(3-Bromo-1-benzothiophen-2-yl)-1,4-dihydropyrimidine;hydrochloride
CID 127049597
5-Methyl-4-(3-methyl-1-benzothiophen-2-yl)-1,4-dihydropyrimidine;hydrochloride
CID 127049598
5-Chloro-2-methyl-4-(3-methyl-1-benzothiophen-2-yl)-1,4-dihydropyrimidine;hydrochloride
CID 127050827
(R)-1-(benzo[b]thiophen-3-yl)ethanamine hydrochloride
CID 66906241
1-(1-Benzothiophen-3-yl)ethan-1-amine hydrochloride
CID 70373336
(3R)-3-methyl-1,2,3,4-tetrahydro-[1]benzothiolo[3,2-c]pyridine
CID 44363288

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(2-methyl-1-benzothiophen-3-yl)-1,4-dihydropyrimidine;hydrochloride?
The IUPAC name of 5-methyl-4-(2-methyl-1-benzothiophen-3-yl)-1,4-dihydropyrimidine;hydrochloride (CID 127050713) is 5-methyl-4-(2-methyl-1-benzothiophen-3-yl)-1,4-dihydropyrimidine;hydrochloride.
What is the SMILES notation for 5-methyl-4-(2-methyl-1-benzothiophen-3-yl)-1,4-dihydropyrimidine;hydrochloride?
The canonical SMILES for 5-methyl-4-(2-methyl-1-benzothiophen-3-yl)-1,4-dihydropyrimidine;hydrochloride is CC1=CNC=NC1c1c(C)sc2ccccc12.Cl.
What is the InChIKey of 5-methyl-4-(2-methyl-1-benzothiophen-3-yl)-1,4-dihydropyrimidine;hydrochloride?
The InChIKey is XZGNAJZHDMXYFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2S.ClH/c1-9-7-15-8-16-14(9)13-10(2)17-12-6-4-3-5-11(12)13;/h3-8,14H,1-2H3,(H,15,16);1H.
What are the key properties of 5-methyl-4-(2-methyl-1-benzothiophen-3-yl)-1,4-dihydropyrimidine;hydrochloride?
5-methyl-4-(2-methyl-1-benzothiophen-3-yl)-1,4-dihydropyrimidine;hydrochloride has a molecular weight of 278.81 g/mol, XLogP of 4.21, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(2-methyl-1-benzothiophen-3-yl)-1,4-dihydropyrimidine;hydrochloride is sourced from PubChem (CID 127050713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).