5-methyl-7-[3-[(4-methylphenyl)methoxy]phenyl]-N-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide

C26H24N6O2 — CID 135827095

IUPAC5-methyl-7-[3-[(4-methylphenyl)methoxy]phenyl]-N-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCC1=C(C(=O)Nc2ccccc2)C(c2cccc(OCc3ccc(C)cc3)c2)n2nnnc2N1
InChIInChI=1S/C26H24N6O2/c1-17-11-13-19(14-12-17)16-34-22-10-6-7-20(15-22)24-23(18(2)27-26-29-30-31-32(24)26)25(33)28-21-8-4-3-5-9-21/h3-15,24H,16H2,1-2H3,(H,28,33)(H,27,29,31)
InChIKeySSIICTJSIOBXCY-UHFFFAOYSA-N
MW452.52 g/mol
LogP4.49
Rot. Bonds6

About 5-methyl-7-[3-[(4-methylphenyl)methoxy]phenyl]-N-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide

5-methyl-7-[3-[(4-methylphenyl)methoxy]phenyl]-N-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 135827095) has the molecular formula C26H24N6O2 and a molecular weight of 452.52 g/mol. Its IUPAC name is 5-methyl-7-[3-[(4-methylphenyl)methoxy]phenyl]-N-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-methyl-7-[3-[(4-methylphenyl)methoxy]phenyl]-N-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID135827095
Molecular FormulaC26H24N6O2
Molecular Weight452.52 g/mol
Exact Mass452.20
IUPAC Name5-methyl-7-[3-[(4-methylphenyl)methoxy]phenyl]-N-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCC1=C(C(=O)Nc2ccccc2)C(c2cccc(OCc3ccc(C)cc3)c2)n2nnnc2N1
InChIInChI=1S/C26H24N6O2/c1-17-11-13-19(14-12-17)16-34-22-10-6-7-20(15-22)24-23(18(2)27-26-29-30-31-32(24)26)25(33)28-21-8-4-3-5-9-21/h3-15,24H,16H2,1-2H3,(H,28,33)(H,27,29,31)
InChIKeySSIICTJSIOBXCY-UHFFFAOYSA-N
XLogP4.49
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.52
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(7R)-7-(3-methoxyphenyl)-5-methyl-N-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 135845438
5-methyl-N-(3-methylphenyl)-7-[3-[(2-methylphenyl)methoxy]phenyl]-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 135662527
prop-2-enyl 5-methyl-7-[3-[(4-methylphenyl)methoxy]phenyl]-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate
CID 135805544
(7S)-7-(3-methoxy-4-phenylmethoxyphenyl)-5-methyl-N-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 1034053
5-methyl-N-(3-methylphenyl)-7-(3-propoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 135662452
7-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-5-methyl-N-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 135838705
5-methyl-N-(4-methylphenyl)-7-[4-(2-phenylethoxy)phenyl]-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 135805315
5-methyl-N-(4-methylphenyl)-7-[4-[(2-methylphenyl)methoxy]phenyl]-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 135805304
N-(2,4-dimethylphenyl)-5-methyl-7-[4-[(4-methylphenyl)methoxy]phenyl]-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 135826817
(7R)-N-(4-methoxyphenyl)-5-methyl-7-(3-phenylmethoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 137151737
7-(5-bromo-2-phenylmethoxyphenyl)-5-methyl-N-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 135805340
(7R)-7-(4-butoxyphenyl)-5-methyl-N-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 135849038

Frequently Asked Questions

What is the IUPAC name of 5-methyl-7-[3-[(4-methylphenyl)methoxy]phenyl]-N-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 5-methyl-7-[3-[(4-methylphenyl)methoxy]phenyl]-N-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide (CID 135827095) is 5-methyl-7-[3-[(4-methylphenyl)methoxy]phenyl]-N-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 5-methyl-7-[3-[(4-methylphenyl)methoxy]phenyl]-N-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 5-methyl-7-[3-[(4-methylphenyl)methoxy]phenyl]-N-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide is CC1=C(C(=O)Nc2ccccc2)C(c2cccc(OCc3ccc(C)cc3)c2)n2nnnc2N1.
What is the InChIKey of 5-methyl-7-[3-[(4-methylphenyl)methoxy]phenyl]-N-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is SSIICTJSIOBXCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N6O2/c1-17-11-13-19(14-12-17)16-34-22-10-6-7-20(15-22)24-23(18(2)27-26-29-30-31-32(24)26)25(33)28-21-8-4-3-5-9-21/h3-15,24H,16H2,1-2H3,(H,28,33)(H,27,29,31).
What are the key properties of 5-methyl-7-[3-[(4-methylphenyl)methoxy]phenyl]-N-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide?
5-methyl-7-[3-[(4-methylphenyl)methoxy]phenyl]-N-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 452.52 g/mol, XLogP of 4.49, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7-[3-[(4-methylphenyl)methoxy]phenyl]-N-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 135827095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).