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

C20H21N5O4 — CID 136736295

IUPAC(7R)-5-(4-methoxyphenyl)-7-(2,3,4-trimethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
SMILESCOc1ccc(C2=C[C@H](c3ccc(OC)c(OC)c3OC)n3nnnc3N2)cc1
InChIInChI=1S/C20H21N5O4/c1-26-13-7-5-12(6-8-13)15-11-16(25-20(21-15)22-23-24-25)14-9-10-17(27-2)19(29-4)18(14)28-3/h5-11,16H,1-4H3,(H,21,22,24)/t16-/m1/s1
InChIKeyOSIBZZXTPKTXMM-MRXNPFEDSA-N
MW395.42 g/mol
LogP2.76
Rot. Bonds6

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

(7R)-5-(4-methoxyphenyl)-7-(2,3,4-trimethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine (PubChem CID 136736295) has the molecular formula C20H21N5O4 and a molecular weight of 395.42 g/mol. Its IUPAC name is (7R)-5-(4-methoxyphenyl)-7-(2,3,4-trimethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name(7R)-5-(4-methoxyphenyl)-7-(2,3,4-trimethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
PubChem CID136736295
Molecular FormulaC20H21N5O4
Molecular Weight395.42 g/mol
Exact Mass395.16
IUPAC Name(7R)-5-(4-methoxyphenyl)-7-(2,3,4-trimethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
SMILESCOc1ccc(C2=C[C@H](c3ccc(OC)c(OC)c3OC)n3nnnc3N2)cc1
InChIInChI=1S/C20H21N5O4/c1-26-13-7-5-12(6-8-13)15-11-16(25-20(21-15)22-23-24-25)14-9-10-17(27-2)19(29-4)18(14)28-3/h5-11,16H,1-4H3,(H,21,22,24)/t16-/m1/s1
InChIKeyOSIBZZXTPKTXMM-MRXNPFEDSA-N
XLogP2.76
TPSA92.55 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

(7R)-5-(3-bromophenyl)-7-(2,3,4-trimethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 136736290
7-(2,4-dimethoxyphenyl)-5-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 3319133
(7S)-7-(2,5-dimethoxyphenyl)-5-(3,4-dimethylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 136879891
5-(4-chlorophenyl)-7-(2,4-dimethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 3383591
(7S)-7-(2,4-dimethoxyphenyl)-5-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 675369
5-(4-methylphenyl)-7-(2,4,5-trimethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 135823275
(7R)-5-(4-methoxyphenyl)-7-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 686428
5-(3-chloro-4-ethoxyphenyl)-7-(2,3-dimethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 4157690
(7S)-5-(3-bromophenyl)-7-(2,3-dimethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 136736307
5-[4-(difluoromethoxy)phenyl]-7-(2-methoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 4639202
(7S)-5-(4-fluorophenyl)-7-(3,4,5-trimethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 135603085
5-(4-chlorophenyl)-7-(2-methoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 2921137

Frequently Asked Questions

What is the IUPAC name of (7R)-5-(4-methoxyphenyl)-7-(2,3,4-trimethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The IUPAC name of (7R)-5-(4-methoxyphenyl)-7-(2,3,4-trimethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine (CID 136736295) is (7R)-5-(4-methoxyphenyl)-7-(2,3,4-trimethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine.
What is the SMILES notation for (7R)-5-(4-methoxyphenyl)-7-(2,3,4-trimethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The canonical SMILES for (7R)-5-(4-methoxyphenyl)-7-(2,3,4-trimethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine is COc1ccc(C2=C[C@H](c3ccc(OC)c(OC)c3OC)n3nnnc3N2)cc1.
What is the InChIKey of (7R)-5-(4-methoxyphenyl)-7-(2,3,4-trimethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The InChIKey is OSIBZZXTPKTXMM-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H21N5O4/c1-26-13-7-5-12(6-8-13)15-11-16(25-20(21-15)22-23-24-25)14-9-10-17(27-2)19(29-4)18(14)28-3/h5-11,16H,1-4H3,(H,21,22,24)/t16-/m1/s1.
What are the key properties of (7R)-5-(4-methoxyphenyl)-7-(2,3,4-trimethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
(7R)-5-(4-methoxyphenyl)-7-(2,3,4-trimethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine has a molecular weight of 395.42 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-5-(4-methoxyphenyl)-7-(2,3,4-trimethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 136736295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).