ethyl 7-(2,6-dimethylphenyl)-5-methyl-6,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate

C16H19N5O2 — CID 90726456

IUPACethyl 7-(2,6-dimethylphenyl)-5-methyl-6,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)C1C(C)=Nc2nnnn2C1c1c(C)cccc1C
InChIInChI=1S/C16H19N5O2/c1-5-23-15(22)13-11(4)17-16-18-19-20-21(16)14(13)12-9(2)7-6-8-10(12)3/h6-8,13-14H,5H2,1-4H3
InChIKeyAUDSOOIHZOCMJJ-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.16
Rot. Bonds3

About ethyl 7-(2,6-dimethylphenyl)-5-methyl-6,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate

ethyl 7-(2,6-dimethylphenyl)-5-methyl-6,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate (PubChem CID 90726456) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is ethyl 7-(2,6-dimethylphenyl)-5-methyl-6,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl 7-(2,6-dimethylphenyl)-5-methyl-6,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate
PubChem CID90726456
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC Nameethyl 7-(2,6-dimethylphenyl)-5-methyl-6,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)C1C(C)=Nc2nnnn2C1c1c(C)cccc1C
InChIInChI=1S/C16H19N5O2/c1-5-23-15(22)13-11(4)17-16-18-19-20-21(16)14(13)12-9(2)7-6-8-10(12)3/h6-8,13-14H,5H2,1-4H3
InChIKeyAUDSOOIHZOCMJJ-UHFFFAOYSA-N
XLogP2.16
TPSA82.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 7-(2,6-dimethylphenyl)-5-methyl-6,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-(2,6-dimethylphenyl)-5-methyl-6,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 90936393
benzyl 5-methyl-7-(3-phenoxyphenyl)-6,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate
CID 91154312
tert-butyl 5-methyl-7-naphthalen-1-yl-6,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate
CID 91482202
benzyl 7-[2-(2-cyanophenyl)phenyl]-5-methyl-6,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate
CID 90754040
N-benzoyl-5-methyl-7-naphthalen-1-yl-6,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carbohydrazide
CID 91007022
methyl 7-(3-bromo-1-benzothiophen-2-yl)-5-methyl-6,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate
CID 91422078
benzyl 7-[2-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-5-methyl-6,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate
CID 90853887
7-(2,3-dihydro-1,4-benzodioxin-5-yl)-5-methyl-6,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 91078121
7-[2-[(3-methoxycarbonylphenyl)methoxy]phenyl]-5-methyl-6,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 91329732
5-methyl-7-(4-methylsulfonylphenyl)-6,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 91523242
5-methyl-7-[2-(4-phenylmethoxyphenyl)phenyl]-6,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 91103414
5-methyl-7-[2-(5-methylfuran-2-yl)phenyl]-6,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 91468155

Frequently Asked Questions

What is the IUPAC name of ethyl 7-(2,6-dimethylphenyl)-5-methyl-6,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate?
The IUPAC name of ethyl 7-(2,6-dimethylphenyl)-5-methyl-6,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate (CID 90726456) is ethyl 7-(2,6-dimethylphenyl)-5-methyl-6,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl 7-(2,6-dimethylphenyl)-5-methyl-6,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl 7-(2,6-dimethylphenyl)-5-methyl-6,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate is CCOC(=O)C1C(C)=Nc2nnnn2C1c1c(C)cccc1C.
What is the InChIKey of ethyl 7-(2,6-dimethylphenyl)-5-methyl-6,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate?
The InChIKey is AUDSOOIHZOCMJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2/c1-5-23-15(22)13-11(4)17-16-18-19-20-21(16)14(13)12-9(2)7-6-8-10(12)3/h6-8,13-14H,5H2,1-4H3.
What are the key properties of ethyl 7-(2,6-dimethylphenyl)-5-methyl-6,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate?
ethyl 7-(2,6-dimethylphenyl)-5-methyl-6,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate has a molecular weight of 313.36 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-(2,6-dimethylphenyl)-5-methyl-6,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 90726456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).