2-ethyl-4-methyl-[1]benzothiolo[3,2-d]pyrimidine

C13H12N2S — CID 144594588

IUPAC2-ethyl-4-methyl-[1]benzothiolo[3,2-d]pyrimidine
SMILESCCc1nc(C)c2sc3ccccc3c2n1
InChIInChI=1S/C13H12N2S/c1-3-11-14-8(2)13-12(15-11)9-6-4-5-7-10(9)16-13/h4-7H,3H2,1-2H3
InChIKeyOUNLYPHWPSLDKG-UHFFFAOYSA-N
MW228.32 g/mol
LogP3.72
Rot. Bonds1

About 2-ethyl-4-methyl-[1]benzothiolo[3,2-d]pyrimidine

2-ethyl-4-methyl-[1]benzothiolo[3,2-d]pyrimidine (PubChem CID 144594588) has the molecular formula C13H12N2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 2-ethyl-4-methyl-[1]benzothiolo[3,2-d]pyrimidine.

Molecular Properties

Compound Name2-ethyl-4-methyl-[1]benzothiolo[3,2-d]pyrimidine
PubChem CID144594588
Molecular FormulaC13H12N2S
Molecular Weight228.32 g/mol
Exact Mass228.07
IUPAC Name2-ethyl-4-methyl-[1]benzothiolo[3,2-d]pyrimidine
SMILESCCc1nc(C)c2sc3ccccc3c2n1
InChIInChI=1S/C13H12N2S/c1-3-11-14-8(2)13-12(15-11)9-6-4-5-7-10(9)16-13/h4-7H,3H2,1-2H3
InChIKeyOUNLYPHWPSLDKG-UHFFFAOYSA-N
XLogP3.72
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-4-methyl-[1]benzothiolo[3,2-d]pyrimidine
CID 118245250
4-methyl-2-naphthalen-2-yl-[1]benzothiolo[3,2-d]pyrimidine
CID 130266371
1-(2-ethyl-[1]benzothiolo[3,2-d]pyrimidin-4-yl)piperidine-4-carboxylic acid
CID 53212681
2-dibenzothiophen-4-yl-4-ethyl-6-phenyl-1,3,5-triazine
CID 146367883
2,3-dimethyl-[1]benzothiolo[3,2-b]pyridine
CID 172684607
2,4-ditert-butyl-[1]benzothiolo[3,2-d]pyrimidine
CID 164819464
2-methyl-[1]benzothiolo[3,2-b]pyridine
CID 15441450
4-(4-methylphenyl)-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 121339088
4-methylsulfanyl-[1]benzothiolo[3,2-d]pyrimidin-2-amine
CID 820647
4-chloro-2-phenyl-[1]benzothiolo[3,2-b]pyridine
CID 90196949
2-chloro-[1]benzothiolo[3,2-d]pyrimidin-4-amine
CID 130222145
ethane;4-ethyldibenzothiophene
CID 123227550

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-methyl-[1]benzothiolo[3,2-d]pyrimidine?
The IUPAC name of 2-ethyl-4-methyl-[1]benzothiolo[3,2-d]pyrimidine (CID 144594588) is 2-ethyl-4-methyl-[1]benzothiolo[3,2-d]pyrimidine.
What is the SMILES notation for 2-ethyl-4-methyl-[1]benzothiolo[3,2-d]pyrimidine?
The canonical SMILES for 2-ethyl-4-methyl-[1]benzothiolo[3,2-d]pyrimidine is CCc1nc(C)c2sc3ccccc3c2n1.
What is the InChIKey of 2-ethyl-4-methyl-[1]benzothiolo[3,2-d]pyrimidine?
The InChIKey is OUNLYPHWPSLDKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2S/c1-3-11-14-8(2)13-12(15-11)9-6-4-5-7-10(9)16-13/h4-7H,3H2,1-2H3.
What are the key properties of 2-ethyl-4-methyl-[1]benzothiolo[3,2-d]pyrimidine?
2-ethyl-4-methyl-[1]benzothiolo[3,2-d]pyrimidine has a molecular weight of 228.32 g/mol, XLogP of 3.72, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-methyl-[1]benzothiolo[3,2-d]pyrimidine is sourced from PubChem (CID 144594588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).