N-(2,4-dimethylphenyl)-7-(3-ethoxy-4-propoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide

C25H30N6O3 — CID 135826712

IUPACN-(2,4-dimethylphenyl)-7-(3-ethoxy-4-propoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCCCOc1ccc(C2C(C(=O)Nc3ccc(C)cc3C)=C(C)Nc3nnnn32)cc1OCC
InChIInChI=1S/C25H30N6O3/c1-6-12-34-20-11-9-18(14-21(20)33-7-2)23-22(17(5)26-25-28-29-30-31(23)25)24(32)27-19-10-8-15(3)13-16(19)4/h8-11,13-14,23H,6-7,12H2,1-5H3,(H,27,32)(H,26,28,30)
InChIKeyRVHSBEQNUKQDEZ-UHFFFAOYSA-N
MW462.55 g/mol
LogP4.41
Rot. Bonds8

About N-(2,4-dimethylphenyl)-7-(3-ethoxy-4-propoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide

N-(2,4-dimethylphenyl)-7-(3-ethoxy-4-propoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 135826712) has the molecular formula C25H30N6O3 and a molecular weight of 462.55 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-7-(3-ethoxy-4-propoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-7-(3-ethoxy-4-propoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID135826712
Molecular FormulaC25H30N6O3
Molecular Weight462.55 g/mol
Exact Mass462.24
IUPAC NameN-(2,4-dimethylphenyl)-7-(3-ethoxy-4-propoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCCCOc1ccc(C2C(C(=O)Nc3ccc(C)cc3C)=C(C)Nc3nnnn32)cc1OCC
InChIInChI=1S/C25H30N6O3/c1-6-12-34-20-11-9-18(14-21(20)33-7-2)23-22(17(5)26-25-28-29-30-31(23)25)24(32)27-19-10-8-15(3)13-16(19)4/h8-11,13-14,23H,6-7,12H2,1-5H3,(H,27,32)(H,26,28,30)
InChIKeyRVHSBEQNUKQDEZ-UHFFFAOYSA-N
XLogP4.41
TPSA103.19 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.55
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-(2,4-dimethylphenyl)-7-(3-methoxy-4-propoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 5093430
N-(2,4-dimethylphenyl)-7-[3-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 135826547
7-(3-methoxy-4-propoxyphenyl)-5-methyl-N-(2-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 5093262
7-(3,4-diethoxyphenyl)-5-methyl-N-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 135805284
7-(5-bromo-2-propoxyphenyl)-N-(2,4-dimethylphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 4172911
N-(2,4-dimethylphenyl)-5-methyl-7-(4-pentoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 135826937
(7S)-N-(2,4-dimethylphenyl)-7-(3-ethoxy-4-methoxyphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 136836199
(7S)-7-(3,4-diethoxyphenyl)-N-(2-methoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 1178876
(7R)-7-(4-ethoxy-3-methoxyphenyl)-N-(2-methoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 1181499
(7R)-7-(4-chlorophenyl)-N-(2,4-dimethylphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 135679987
(7R)-N-(2,4-dimethylphenyl)-7-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 136713023
7-(3,4-diethoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 4244288

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-7-(3-ethoxy-4-propoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of N-(2,4-dimethylphenyl)-7-(3-ethoxy-4-propoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide (CID 135826712) is N-(2,4-dimethylphenyl)-7-(3-ethoxy-4-propoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-7-(3-ethoxy-4-propoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-7-(3-ethoxy-4-propoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide is CCCOc1ccc(C2C(C(=O)Nc3ccc(C)cc3C)=C(C)Nc3nnnn32)cc1OCC.
What is the InChIKey of N-(2,4-dimethylphenyl)-7-(3-ethoxy-4-propoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is RVHSBEQNUKQDEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O3/c1-6-12-34-20-11-9-18(14-21(20)33-7-2)23-22(17(5)26-25-28-29-30-31(23)25)24(32)27-19-10-8-15(3)13-16(19)4/h8-11,13-14,23H,6-7,12H2,1-5H3,(H,27,32)(H,26,28,30).
What are the key properties of N-(2,4-dimethylphenyl)-7-(3-ethoxy-4-propoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide?
N-(2,4-dimethylphenyl)-7-(3-ethoxy-4-propoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 462.55 g/mol, XLogP of 4.41, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-7-(3-ethoxy-4-propoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 135826712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).