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

C19H19N5O3 — CID 3241196

IUPAC7-(2,3-dimethoxyphenyl)-5-(3-methoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
SMILESCOc1cccc(C2=CC(c3cccc(OC)c3OC)n3nnnc3N2)c1
InChIInChI=1S/C19H19N5O3/c1-25-13-7-4-6-12(10-13)15-11-16(24-19(20-15)21-22-23-24)14-8-5-9-17(26-2)18(14)27-3/h4-11,16H,1-3H3,(H,20,21,23)
InChIKeyDJOUNRMDYOBEST-UHFFFAOYSA-N
MW365.39 g/mol
LogP2.75
Rot. Bonds5

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

7-(2,3-dimethoxyphenyl)-5-(3-methoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine (PubChem CID 3241196) has the molecular formula C19H19N5O3 and a molecular weight of 365.39 g/mol. Its IUPAC name is 7-(2,3-dimethoxyphenyl)-5-(3-methoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(2,3-dimethoxyphenyl)-5-(3-methoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
PubChem CID3241196
Molecular FormulaC19H19N5O3
Molecular Weight365.39 g/mol
Exact Mass365.15
IUPAC Name7-(2,3-dimethoxyphenyl)-5-(3-methoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
SMILESCOc1cccc(C2=CC(c3cccc(OC)c3OC)n3nnnc3N2)c1
InChIInChI=1S/C19H19N5O3/c1-25-13-7-4-6-12(10-13)15-11-16(24-19(20-15)21-22-23-24)14-8-5-9-17(26-2)18(14)27-3/h4-11,16H,1-3H3,(H,20,21,23)
InChIKeyDJOUNRMDYOBEST-UHFFFAOYSA-N
XLogP2.75
TPSA83.32 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-(2,3-dimethoxyphenyl)-5-(3-methoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(2,3-dimethoxyphenyl)-5-(3-methoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine (CID 3241196) is 7-(2,3-dimethoxyphenyl)-5-(3-methoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(2,3-dimethoxyphenyl)-5-(3-methoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(2,3-dimethoxyphenyl)-5-(3-methoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine is COc1cccc(C2=CC(c3cccc(OC)c3OC)n3nnnc3N2)c1.
What is the InChIKey of 7-(2,3-dimethoxyphenyl)-5-(3-methoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The InChIKey is DJOUNRMDYOBEST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O3/c1-25-13-7-4-6-12(10-13)15-11-16(24-19(20-15)21-22-23-24)14-8-5-9-17(26-2)18(14)27-3/h4-11,16H,1-3H3,(H,20,21,23).
What are the key properties of 7-(2,3-dimethoxyphenyl)-5-(3-methoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
7-(2,3-dimethoxyphenyl)-5-(3-methoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine has a molecular weight of 365.39 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,3-dimethoxyphenyl)-5-(3-methoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 3241196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).