7-(2,5-dimethoxyphenyl)-5-(3,4-dimethylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine

C20H21N5O2 — CID 3241806

IUPAC7-(2,5-dimethoxyphenyl)-5-(3,4-dimethylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
SMILESCOc1ccc(OC)c(C2C=C(c3ccc(C)c(C)c3)Nc3nnnn32)c1
InChIInChI=1S/C20H21N5O2/c1-12-5-6-14(9-13(12)2)17-11-18(25-20(21-17)22-23-24-25)16-10-15(26-3)7-8-19(16)27-4/h5-11,18H,1-4H3,(H,21,22,24)
InChIKeyGRXFWYCGTLHWGI-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.36
Rot. Bonds4

About 7-(2,5-dimethoxyphenyl)-5-(3,4-dimethylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine

7-(2,5-dimethoxyphenyl)-5-(3,4-dimethylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine (PubChem CID 3241806) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is 7-(2,5-dimethoxyphenyl)-5-(3,4-dimethylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(2,5-dimethoxyphenyl)-5-(3,4-dimethylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
PubChem CID3241806
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name7-(2,5-dimethoxyphenyl)-5-(3,4-dimethylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
SMILESCOc1ccc(OC)c(C2C=C(c3ccc(C)c(C)c3)Nc3nnnn32)c1
InChIInChI=1S/C20H21N5O2/c1-12-5-6-14(9-13(12)2)17-11-18(25-20(21-17)22-23-24-25)16-10-15(26-3)7-8-19(16)27-4/h5-11,18H,1-4H3,(H,21,22,24)
InChIKeyGRXFWYCGTLHWGI-UHFFFAOYSA-N
XLogP3.36
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-ethyl-N-[(2-methoxy-1-naphthyl)methyl]-1H-tetrazol-5-amine
CID 834710
5-[2-(Difluoromethoxy)phenyl]-7-(4-methylphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine
CID 3236238
5-(3-Methoxyphenyl)-7-phenyl-3,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 661596
N-[(2-ethoxynaphthalen-1-yl)methyl]-1-ethyltetrazol-5-amine
CID 834689
7-(2,3-Dimethoxyphenyl)-5-(3-methoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 3241196
7-[2-(Difluoromethoxy)-3-methoxyphenyl]-5-(3-methoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 3243216
7-(2,5-Dimethoxyphenyl)-5-(3-methoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 3243357
7-(2,5-Dimethoxyphenyl)-5-(4-methoxyphenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
CID 3245643
5-(3-Methoxyphenyl)-7-(2-methylphenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
CID 3843039
5-(2,5-Dimethoxyphenyl)-7-naphthalen-1-yl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrimidine
CID 155510971
N-[(2-methoxynaphthalen-1-yl)methyl]-1-methyltetrazol-5-amine
CID 834540
5-(3-Methoxyphenyl)-7-(4-methylphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine
CID 662084

Frequently Asked Questions

What is the IUPAC name of 7-(2,5-dimethoxyphenyl)-5-(3,4-dimethylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(2,5-dimethoxyphenyl)-5-(3,4-dimethylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine (CID 3241806) is 7-(2,5-dimethoxyphenyl)-5-(3,4-dimethylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(2,5-dimethoxyphenyl)-5-(3,4-dimethylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(2,5-dimethoxyphenyl)-5-(3,4-dimethylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine is COc1ccc(OC)c(C2C=C(c3ccc(C)c(C)c3)Nc3nnnn32)c1.
What is the InChIKey of 7-(2,5-dimethoxyphenyl)-5-(3,4-dimethylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The InChIKey is GRXFWYCGTLHWGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-12-5-6-14(9-13(12)2)17-11-18(25-20(21-17)22-23-24-25)16-10-15(26-3)7-8-19(16)27-4/h5-11,18H,1-4H3,(H,21,22,24).
What are the key properties of 7-(2,5-dimethoxyphenyl)-5-(3,4-dimethylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
7-(2,5-dimethoxyphenyl)-5-(3,4-dimethylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine has a molecular weight of 363.42 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,5-dimethoxyphenyl)-5-(3,4-dimethylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 3241806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).