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

C20H19FN6O — CID 135572448

IUPACN-(2,4-dimethylphenyl)-7-(2-fluorophenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCC1=C(C(=O)Nc2ccc(C)cc2C)C(c2ccccc2F)n2nnnc2N1
InChIInChI=1S/C20H19FN6O/c1-11-8-9-16(12(2)10-11)23-19(28)17-13(3)22-20-24-25-26-27(20)18(17)14-6-4-5-7-15(14)21/h4-10,18H,1-3H3,(H,23,28)(H,22,24,26)
InChIKeyFBCNNNPRBCAQIA-UHFFFAOYSA-N
MW378.41 g/mol
LogP3.36
Rot. Bonds3

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

N-(2,4-dimethylphenyl)-7-(2-fluorophenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 135572448) has the molecular formula C20H19FN6O and a molecular weight of 378.41 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-7-(2-fluorophenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-7-(2-fluorophenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID135572448
Molecular FormulaC20H19FN6O
Molecular Weight378.41 g/mol
Exact Mass378.16
IUPAC NameN-(2,4-dimethylphenyl)-7-(2-fluorophenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCC1=C(C(=O)Nc2ccc(C)cc2C)C(c2ccccc2F)n2nnnc2N1
InChIInChI=1S/C20H19FN6O/c1-11-8-9-16(12(2)10-11)23-19(28)17-13(3)22-20-24-25-26-27(20)18(17)14-6-4-5-7-15(14)21/h4-10,18H,1-3H3,(H,23,28)(H,22,24,26)
InChIKeyFBCNNNPRBCAQIA-UHFFFAOYSA-N
XLogP3.36
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-{[(1-Benzyl-1H-tetrazol-5-ylmethyl)-cyclopentyl-amino]-methyl}-6-methyl-1H-quinolin-2-one
CID 652741
3-{[Benzyl-(1-cyclopentyl-1H-tetrazol-5-ylmethyl)-amino]-methyl}-6-methyl-1H-quinolin-2-one
CID 653073
2-(Benzylsulfanyl)-7-[4-(diethylamino)phenyl]-5-methyl-4H,7H-[1,2,4]triazolo[1,5-A]pyrimidine-6-carboxamide
CID 5123164
N-(5-chloro-2-methylphenyl)-7-(2-fluorophenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135410515
N-(2,4-Dimethylphenyl)-5-methyl-7-[4-(propan-2-YL)phenyl]-2-(trifluoromethyl)-4H,7H-[1,2,4]triazolo[1,5-A]pyrimidine-6-carboxamide
CID 135416453
7-(4-Chlorophenyl)-5-methyl-N-(4-methylphenyl)-4H,7H-[1,2,3,4]tetrazolo[1,5-A]pyrimidine-6-carboxamide
CID 4145589
N-(2,4-dimethylphenyl)-5-methyl-7-(2-methylphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135410496
7-(4-(Diethylamino)phenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135410504
N-(2,4-dimethylphenyl)-5-methyl-7-(4-nitrophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135510957
N-(4-chlorophenyl)-5-methyl-7-[4-(trifluoromethyl)phenyl]-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 135413860
N-(2,4-dimethylphenyl)-5-methyl-2-[(2-methylbenzyl)sulfanyl]-7-(2-methylpropyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135419097
2-[4-(Dimethylamino)phenyl]-7-(4-fluorophenyl)-5-methyl-4H,7H-[1,2,4]triazolo[1,5-A]pyrimidine-6-carboxamide
CID 135419144

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-7-(2-fluorophenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of N-(2,4-dimethylphenyl)-7-(2-fluorophenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide (CID 135572448) is N-(2,4-dimethylphenyl)-7-(2-fluorophenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-7-(2-fluorophenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-7-(2-fluorophenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide is CC1=C(C(=O)Nc2ccc(C)cc2C)C(c2ccccc2F)n2nnnc2N1.
What is the InChIKey of N-(2,4-dimethylphenyl)-7-(2-fluorophenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is FBCNNNPRBCAQIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN6O/c1-11-8-9-16(12(2)10-11)23-19(28)17-13(3)22-20-24-25-26-27(20)18(17)14-6-4-5-7-15(14)21/h4-10,18H,1-3H3,(H,23,28)(H,22,24,26).
What are the key properties of N-(2,4-dimethylphenyl)-7-(2-fluorophenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide?
N-(2,4-dimethylphenyl)-7-(2-fluorophenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 378.41 g/mol, XLogP of 3.36, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-7-(2-fluorophenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 135572448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).