4-[5-(4-methoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidin-7-yl]-N,N-dimethylaniline

C19H20N6O — CID 2921673

IUPAC4-[5-(4-methoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidin-7-yl]-N,N-dimethylaniline
SMILESCOc1ccc(C2=CC(c3ccc(N(C)C)cc3)n3nnnc3N2)cc1
InChIInChI=1S/C19H20N6O/c1-24(2)15-8-4-14(5-9-15)18-12-17(20-19-21-22-23-25(18)19)13-6-10-16(26-3)11-7-13/h4-12,18H,1-3H3,(H,20,21,23)
InChIKeyWFSRYAPBXCVYGX-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.80
Rot. Bonds4

About 4-[5-(4-methoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidin-7-yl]-N,N-dimethylaniline

4-[5-(4-methoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidin-7-yl]-N,N-dimethylaniline (PubChem CID 2921673) has the molecular formula C19H20N6O and a molecular weight of 348.41 g/mol. Its IUPAC name is 4-[5-(4-methoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidin-7-yl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[5-(4-methoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidin-7-yl]-N,N-dimethylaniline
PubChem CID2921673
Molecular FormulaC19H20N6O
Molecular Weight348.41 g/mol
Exact Mass348.17
IUPAC Name4-[5-(4-methoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidin-7-yl]-N,N-dimethylaniline
SMILESCOc1ccc(C2=CC(c3ccc(N(C)C)cc3)n3nnnc3N2)cc1
InChIInChI=1S/C19H20N6O/c1-24(2)15-8-4-14(5-9-15)18-12-17(20-19-21-22-23-25(18)19)13-6-10-16(26-3)11-7-13/h4-12,18H,1-3H3,(H,20,21,23)
InChIKeyWFSRYAPBXCVYGX-UHFFFAOYSA-N
XLogP2.80
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

7-(4-Methoxyphenyl)-5-(4-methylphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine
CID 662095
7-(4-Ethoxyphenyl)-5-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 662134
7-(4-Ethoxyphenyl)-5-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine
CID 662176
4-[5-(3-methoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidin-7-yl]-N,N-dimethylaniline
CID 662205
7-(4-Methoxyphenyl)-5-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine
CID 2999581
7-(4-Methoxyphenyl)-5-phenyl-1,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 404637
1-{1-[1-(4-Methoxy-benzyl)-1H-tetrazol-5-yl]-butyl}-4-phenyl-piperazine
CID 651378
1-[(1-Cyclohexyl-1H-tetrazol-5-yl)-(4-methoxy-phenyl)-methyl]-4-(2-fluoro-phenyl)-piperazine
CID 651386
1-{1-[1-(4-Methoxy-benzyl)-1H-tetrazol-5-yl]-3-methyl-butyl}-4-phenyl-piperazine
CID 654297
5-(3-Methoxyphenyl)-7-phenyl-3,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 661596
6-(4-Methoxyphenyl)-1-(4-methylphenyl)-1,6-dihydro-1,3,5-triazine-2,4-diamine hydrochloride
CID 2851143
7-(4-Fluorophenyl)-5-(4-methoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 2921170

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-methoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidin-7-yl]-N,N-dimethylaniline?
The IUPAC name of 4-[5-(4-methoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidin-7-yl]-N,N-dimethylaniline (CID 2921673) is 4-[5-(4-methoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidin-7-yl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[5-(4-methoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidin-7-yl]-N,N-dimethylaniline?
The canonical SMILES for 4-[5-(4-methoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidin-7-yl]-N,N-dimethylaniline is COc1ccc(C2=CC(c3ccc(N(C)C)cc3)n3nnnc3N2)cc1.
What is the InChIKey of 4-[5-(4-methoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidin-7-yl]-N,N-dimethylaniline?
The InChIKey is WFSRYAPBXCVYGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O/c1-24(2)15-8-4-14(5-9-15)18-12-17(20-19-21-22-23-25(18)19)13-6-10-16(26-3)11-7-13/h4-12,18H,1-3H3,(H,20,21,23).
What are the key properties of 4-[5-(4-methoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidin-7-yl]-N,N-dimethylaniline?
4-[5-(4-methoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidin-7-yl]-N,N-dimethylaniline has a molecular weight of 348.41 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-methoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidin-7-yl]-N,N-dimethylaniline is sourced from PubChem (CID 2921673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).