(7R)-5-(3-bromophenyl)-7-(2,3,4-trimethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine

C19H18BrN5O3 — CID 136736290

IUPAC(7R)-5-(3-bromophenyl)-7-(2,3,4-trimethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
SMILESCOc1ccc([C@H]2C=C(c3cccc(Br)c3)Nc3nnnn32)c(OC)c1OC
InChIInChI=1S/C19H18BrN5O3/c1-26-16-8-7-13(17(27-2)18(16)28-3)15-10-14(11-5-4-6-12(20)9-11)21-19-22-23-24-25(15)19/h4-10,15H,1-3H3,(H,21,22,24)/t15-/m1/s1
InChIKeyIFYQOXUYFVGGAE-OAHLLOKOSA-N
MW444.29 g/mol
LogP3.52
Rot. Bonds5

About (7R)-5-(3-bromophenyl)-7-(2,3,4-trimethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine

(7R)-5-(3-bromophenyl)-7-(2,3,4-trimethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine (PubChem CID 136736290) has the molecular formula C19H18BrN5O3 and a molecular weight of 444.29 g/mol. Its IUPAC name is (7R)-5-(3-bromophenyl)-7-(2,3,4-trimethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name(7R)-5-(3-bromophenyl)-7-(2,3,4-trimethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
PubChem CID136736290
Molecular FormulaC19H18BrN5O3
Molecular Weight444.29 g/mol
Exact Mass443.06
IUPAC Name(7R)-5-(3-bromophenyl)-7-(2,3,4-trimethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
SMILESCOc1ccc([C@H]2C=C(c3cccc(Br)c3)Nc3nnnn32)c(OC)c1OC
InChIInChI=1S/C19H18BrN5O3/c1-26-16-8-7-13(17(27-2)18(16)28-3)15-10-14(11-5-4-6-12(20)9-11)21-19-22-23-24-25(15)19/h4-10,15H,1-3H3,(H,21,22,24)/t15-/m1/s1
InChIKeyIFYQOXUYFVGGAE-OAHLLOKOSA-N
XLogP3.52
TPSA83.32 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.29
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (7R)-5-(3-bromophenyl)-7-(2,3,4-trimethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(7S)-5-(3-bromophenyl)-7-(2,3-dimethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 136736307
(7R)-5-(4-methoxyphenyl)-7-(2,3,4-trimethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 136736295
5-(3-chloro-4-ethoxyphenyl)-7-(2,3-dimethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 4157690
(7R)-7-(2,3-dimethoxyphenyl)-5-(3-nitrophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 136736323
(7R)-5-(3-bromophenyl)-7-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 1251261
(7S)-7-(2,4-dimethoxyphenyl)-5-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 675369
(7S)-7-(4-bromophenyl)-5-(3-methoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 136852403
(7S)-7-(2,5-dimethoxyphenyl)-5-(3,4-dimethylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 136879891
5-(4-methylphenyl)-7-(2,4,5-trimethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 135823275
7-(2,4-dimethoxyphenyl)-5-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 3319133
7-(2,4-dichlorophenyl)-5-(3-methoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 3796566
5-(3-methoxyphenyl)-7-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 661596

Frequently Asked Questions

What is the IUPAC name of (7R)-5-(3-bromophenyl)-7-(2,3,4-trimethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The IUPAC name of (7R)-5-(3-bromophenyl)-7-(2,3,4-trimethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine (CID 136736290) is (7R)-5-(3-bromophenyl)-7-(2,3,4-trimethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine.
What is the SMILES notation for (7R)-5-(3-bromophenyl)-7-(2,3,4-trimethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The canonical SMILES for (7R)-5-(3-bromophenyl)-7-(2,3,4-trimethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine is COc1ccc([C@H]2C=C(c3cccc(Br)c3)Nc3nnnn32)c(OC)c1OC.
What is the InChIKey of (7R)-5-(3-bromophenyl)-7-(2,3,4-trimethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The InChIKey is IFYQOXUYFVGGAE-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H18BrN5O3/c1-26-16-8-7-13(17(27-2)18(16)28-3)15-10-14(11-5-4-6-12(20)9-11)21-19-22-23-24-25(15)19/h4-10,15H,1-3H3,(H,21,22,24)/t15-/m1/s1.
What are the key properties of (7R)-5-(3-bromophenyl)-7-(2,3,4-trimethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
(7R)-5-(3-bromophenyl)-7-(2,3,4-trimethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine has a molecular weight of 444.29 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-5-(3-bromophenyl)-7-(2,3,4-trimethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 136736290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).