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

C19H21N5O3 — CID 4306098

IUPAC7-(2,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
SMILESCOc1ccc(C2CC(c3ccc(OC)cc3OC)n3nnnc3N2)cc1
InChIInChI=1S/C19H21N5O3/c1-25-13-6-4-12(5-7-13)16-11-17(24-19(20-16)21-22-23-24)15-9-8-14(26-2)10-18(15)27-3/h4-10,16-17H,11H2,1-3H3,(H,20,21,23)
InChIKeyJWKQZTZWMSZGSQ-UHFFFAOYSA-N
MW367.41 g/mol
LogP2.85
Rot. Bonds5

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

7-(2,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine (PubChem CID 4306098) has the molecular formula C19H21N5O3 and a molecular weight of 367.41 g/mol. Its IUPAC name is 7-(2,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(2,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
PubChem CID4306098
Molecular FormulaC19H21N5O3
Molecular Weight367.41 g/mol
Exact Mass367.16
IUPAC Name7-(2,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
SMILESCOc1ccc(C2CC(c3ccc(OC)cc3OC)n3nnnc3N2)cc1
InChIInChI=1S/C19H21N5O3/c1-25-13-6-4-12(5-7-13)16-11-17(24-19(20-16)21-22-23-24)15-9-8-14(26-2)10-18(15)27-3/h4-10,16-17H,11H2,1-3H3,(H,20,21,23)
InChIKeyJWKQZTZWMSZGSQ-UHFFFAOYSA-N
XLogP2.85
TPSA83.32 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-(2,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(2,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine (CID 4306098) is 7-(2,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(2,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(2,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine is COc1ccc(C2CC(c3ccc(OC)cc3OC)n3nnnc3N2)cc1.
What is the InChIKey of 7-(2,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine?
The InChIKey is JWKQZTZWMSZGSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3/c1-25-13-6-4-12(5-7-13)16-11-17(24-19(20-16)21-22-23-24)15-9-8-14(26-2)10-18(15)27-3/h4-10,16-17H,11H2,1-3H3,(H,20,21,23).
What are the key properties of 7-(2,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine?
7-(2,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine has a molecular weight of 367.41 g/mol, XLogP of 2.85, 5 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-(4-methoxyphenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 4306098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).