(7R)-7-(4-bromophenyl)-6-methyl-5-propan-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine

C14H16BrN5 — CID 135593930

IUPAC(7R)-7-(4-bromophenyl)-6-methyl-5-propan-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine
SMILESCC1=C(C(C)C)Nc2nnnn2[C@@H]1c1ccc(Br)cc1
InChIInChI=1S/C14H16BrN5/c1-8(2)12-9(3)13(10-4-6-11(15)7-5-10)20-14(16-12)17-18-19-20/h4-8,13H,1-3H3,(H,16,17,19)/t13-/m0/s1
InChIKeyADSHSBRNUUDWGI-ZDUSSCGKSA-N
MW334.22 g/mol
LogP3.38
Rot. Bonds2

About (7R)-7-(4-bromophenyl)-6-methyl-5-propan-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine

(7R)-7-(4-bromophenyl)-6-methyl-5-propan-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine (PubChem CID 135593930) has the molecular formula C14H16BrN5 and a molecular weight of 334.22 g/mol. Its IUPAC name is (7R)-7-(4-bromophenyl)-6-methyl-5-propan-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name(7R)-7-(4-bromophenyl)-6-methyl-5-propan-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine
PubChem CID135593930
Molecular FormulaC14H16BrN5
Molecular Weight334.22 g/mol
Exact Mass333.06
IUPAC Name(7R)-7-(4-bromophenyl)-6-methyl-5-propan-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine
SMILESCC1=C(C(C)C)Nc2nnnn2[C@@H]1c1ccc(Br)cc1
InChIInChI=1S/C14H16BrN5/c1-8(2)12-9(3)13(10-4-6-11(15)7-5-10)20-14(16-12)17-18-19-20/h4-8,13H,1-3H3,(H,16,17,19)/t13-/m0/s1
InChIKeyADSHSBRNUUDWGI-ZDUSSCGKSA-N
XLogP3.38
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.22
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[7-(4-bromophenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidin-6-yl]ethanone
CID 5017425
(8S)-8-(4-bromophenyl)-10-methyl-2,4,5,6,7,11,12-heptazatricyclo[7.4.0.03,7]trideca-1(9),3,5,10-tetraen-13-one
CID 137145793
[7-(4-bromophenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidin-6-yl]-phenylmethanone
CID 146020989
benzyl (7S)-7-(4-bromophenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate
CID 136674580
[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl] (7S)-7-(4-bromophenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate
CID 137195280
methyl (7S)-6-(4-bromobenzoyl)-7-(4-hydroxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylate
CID 137075684
(8S)-8,10-bis(4-bromophenyl)-2,4,5,6,7,11,12-heptazatricyclo[7.4.0.03,7]trideca-1(9),3,5,10-tetraen-13-one
CID 137157658
10-(4-bromophenyl)-8-(4-ethylphenyl)-2,4,5,6,7,11,12-heptazatricyclo[7.4.0.03,7]trideca-1(9),3,5,10-tetraen-13-one
CID 135715437
4-[5-(4-bromophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidin-7-yl]-N,N-dimethylaniline
CID 2921747
7-(4-bromophenyl)-5-(3,4-dimethylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 4188889
4-[(7R)-5-(4-bromophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidin-7-yl]-N,N-dimethylaniline
CID 1327404
propan-2-yl (7R)-7-(4-hydroxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate
CID 135930776

Frequently Asked Questions

What is the IUPAC name of (7R)-7-(4-bromophenyl)-6-methyl-5-propan-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The IUPAC name of (7R)-7-(4-bromophenyl)-6-methyl-5-propan-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine (CID 135593930) is (7R)-7-(4-bromophenyl)-6-methyl-5-propan-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine.
What is the SMILES notation for (7R)-7-(4-bromophenyl)-6-methyl-5-propan-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The canonical SMILES for (7R)-7-(4-bromophenyl)-6-methyl-5-propan-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine is CC1=C(C(C)C)Nc2nnnn2[C@@H]1c1ccc(Br)cc1.
What is the InChIKey of (7R)-7-(4-bromophenyl)-6-methyl-5-propan-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The InChIKey is ADSHSBRNUUDWGI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H16BrN5/c1-8(2)12-9(3)13(10-4-6-11(15)7-5-10)20-14(16-12)17-18-19-20/h4-8,13H,1-3H3,(H,16,17,19)/t13-/m0/s1.
What are the key properties of (7R)-7-(4-bromophenyl)-6-methyl-5-propan-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
(7R)-7-(4-bromophenyl)-6-methyl-5-propan-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine has a molecular weight of 334.22 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-7-(4-bromophenyl)-6-methyl-5-propan-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 135593930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).