7-(2,4-dimethoxyphenyl)-5-thiophen-2-yl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine

C16H17N5O2S — CID 3325616

IUPAC7-(2,4-dimethoxyphenyl)-5-thiophen-2-yl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
SMILESCOc1ccc(C2CC(c3cccs3)Nc3nnnn32)c(OC)c1
InChIInChI=1S/C16H17N5O2S/c1-22-10-5-6-11(14(8-10)23-2)13-9-12(15-4-3-7-24-15)17-16-18-19-20-21(13)16/h3-8,12-13H,9H2,1-2H3,(H,17,18,20)
InChIKeyCPMZGGDRMSLFMD-UHFFFAOYSA-N
MW343.41 g/mol
LogP2.90
Rot. Bonds4

About 7-(2,4-dimethoxyphenyl)-5-thiophen-2-yl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine

7-(2,4-dimethoxyphenyl)-5-thiophen-2-yl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine (PubChem CID 3325616) has the molecular formula C16H17N5O2S and a molecular weight of 343.41 g/mol. Its IUPAC name is 7-(2,4-dimethoxyphenyl)-5-thiophen-2-yl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(2,4-dimethoxyphenyl)-5-thiophen-2-yl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
PubChem CID3325616
Molecular FormulaC16H17N5O2S
Molecular Weight343.41 g/mol
Exact Mass343.11
IUPAC Name7-(2,4-dimethoxyphenyl)-5-thiophen-2-yl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
SMILESCOc1ccc(C2CC(c3cccs3)Nc3nnnn32)c(OC)c1
InChIInChI=1S/C16H17N5O2S/c1-22-10-5-6-11(14(8-10)23-2)13-9-12(15-4-3-7-24-15)17-16-18-19-20-21(13)16/h3-8,12-13H,9H2,1-2H3,(H,17,18,20)
InChIKeyCPMZGGDRMSLFMD-UHFFFAOYSA-N
XLogP2.90
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 7-(2,4-dimethoxyphenyl)-5-thiophen-2-yl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine with MolForge

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Related Compounds

5-(4-Methoxyphenyl)-7-(3-methylthien-2-yl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 3244971
5-(4-Methoxyphenyl)-7-(thiophen-2-yl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
CID 2948332
1-[(2,4-Dimethoxy-phenyl)-(1-thiophen-2-ylmethyl-1H-tetrazol-5-yl)-methyl]-piperidine-4-carboxylic acid amide
CID 646962
7-(3-Methoxyphenyl)-5-thien-2-yl-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine
CID 3236431
7-(4-Methoxyphenyl)-5-(thiophen-2-yl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
CID 4246804
7-(2,5-Dimethoxyphenyl)-5-thiophen-2-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 3362012
7-(2-Ethoxyphenyl)-5-thiophen-2-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 3459315
5-(5-Bromothiophen-2-yl)-7-(2,4-dimethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 4059943
5-Thiophen-2-yl-7-(2,3,4-trimethoxyphenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
CID 4121445
7-(2,4-Dimethoxyphenyl)-5-(thiophen-2-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine
CID 4127584
5-(5-Bromothiophen-2-yl)-7-(2,4-dimethoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 4127856
7-(2,4-Dimethoxyphenyl)-5-(4-methoxyphenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
CID 4306098

Frequently Asked Questions

What is the IUPAC name of 7-(2,4-dimethoxyphenyl)-5-thiophen-2-yl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(2,4-dimethoxyphenyl)-5-thiophen-2-yl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine (CID 3325616) is 7-(2,4-dimethoxyphenyl)-5-thiophen-2-yl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(2,4-dimethoxyphenyl)-5-thiophen-2-yl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(2,4-dimethoxyphenyl)-5-thiophen-2-yl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine is COc1ccc(C2CC(c3cccs3)Nc3nnnn32)c(OC)c1.
What is the InChIKey of 7-(2,4-dimethoxyphenyl)-5-thiophen-2-yl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine?
The InChIKey is CPMZGGDRMSLFMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2S/c1-22-10-5-6-11(14(8-10)23-2)13-9-12(15-4-3-7-24-15)17-16-18-19-20-21(13)16/h3-8,12-13H,9H2,1-2H3,(H,17,18,20).
What are the key properties of 7-(2,4-dimethoxyphenyl)-5-thiophen-2-yl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine?
7-(2,4-dimethoxyphenyl)-5-thiophen-2-yl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine has a molecular weight of 343.41 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,4-dimethoxyphenyl)-5-thiophen-2-yl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 3325616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).