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

C18H16ClN5O2 — CID 3383591

IUPAC5-(4-chlorophenyl)-7-(2,4-dimethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
SMILESCOc1ccc(C2C=C(c3ccc(Cl)cc3)Nc3nnnn32)c(OC)c1
InChIInChI=1S/C18H16ClN5O2/c1-25-13-7-8-14(17(9-13)26-2)16-10-15(11-3-5-12(19)6-4-11)20-18-21-22-23-24(16)18/h3-10,16H,1-2H3,(H,20,21,23)
InChIKeyVMFBIUPBJHOHBQ-UHFFFAOYSA-N
MW369.81 g/mol
LogP3.40
Rot. Bonds4

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

5-(4-chlorophenyl)-7-(2,4-dimethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine (PubChem CID 3383591) has the molecular formula C18H16ClN5O2 and a molecular weight of 369.81 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-7-(2,4-dimethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-7-(2,4-dimethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
PubChem CID3383591
Molecular FormulaC18H16ClN5O2
Molecular Weight369.81 g/mol
Exact Mass369.10
IUPAC Name5-(4-chlorophenyl)-7-(2,4-dimethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
SMILESCOc1ccc(C2C=C(c3ccc(Cl)cc3)Nc3nnnn32)c(OC)c1
InChIInChI=1S/C18H16ClN5O2/c1-25-13-7-8-14(17(9-13)26-2)16-10-15(11-3-5-12(19)6-4-11)20-18-21-22-23-24(16)18/h3-10,16H,1-2H3,(H,20,21,23)
InChIKeyVMFBIUPBJHOHBQ-UHFFFAOYSA-N
XLogP3.40
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.81
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

7-(2,4-dimethoxyphenyl)-5-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 3319133
(7S)-7-(2,4-dimethoxyphenyl)-5-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 675369
5-(4-chlorophenyl)-7-(2-methoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 2921137
(7S)-5-(4-chlorophenyl)-7-(3,4-dimethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 1088421
(7R)-5-(4-methoxyphenyl)-7-(2,3,4-trimethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 136736295
5-(4-chlorophenyl)-7-(3,4,5-trimethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 3525349
7-(2,4-dichlorophenyl)-5-(3-methoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 3796566
5-(4-methylphenyl)-7-(2,4,5-trimethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 135823275
(7S)-7-(2,5-dimethoxyphenyl)-5-(3,4-dimethylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 136879891
(7R)-5-(4-chlorophenyl)-7-(4-ethoxy-3-methoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 136852417
5-[4-(difluoromethoxy)phenyl]-7-(2-methoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 4639202
7-(2-chloro-6-fluorophenyl)-5-(2,4-dimethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 2950297

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-7-(2,4-dimethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-(4-chlorophenyl)-7-(2,4-dimethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine (CID 3383591) is 5-(4-chlorophenyl)-7-(2,4-dimethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-(4-chlorophenyl)-7-(2,4-dimethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-(4-chlorophenyl)-7-(2,4-dimethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine is COc1ccc(C2C=C(c3ccc(Cl)cc3)Nc3nnnn32)c(OC)c1.
What is the InChIKey of 5-(4-chlorophenyl)-7-(2,4-dimethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The InChIKey is VMFBIUPBJHOHBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN5O2/c1-25-13-7-8-14(17(9-13)26-2)16-10-15(11-3-5-12(19)6-4-11)20-18-21-22-23-24(16)18/h3-10,16H,1-2H3,(H,20,21,23).
What are the key properties of 5-(4-chlorophenyl)-7-(2,4-dimethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
5-(4-chlorophenyl)-7-(2,4-dimethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine has a molecular weight of 369.81 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-7-(2,4-dimethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 3383591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).