N-(2,4-dimethylphenyl)-5-methyl-2-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C21H21N5 — CID 23608669

IUPACN-(2,4-dimethylphenyl)-5-methyl-2-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cccc(-c2nc3nc(C)cc(Nc4ccc(C)cc4C)n3n2)c1
InChIInChI=1S/C21H21N5/c1-13-6-5-7-17(11-13)20-24-21-22-16(4)12-19(26(21)25-20)23-18-9-8-14(2)10-15(18)3/h5-12,23H,1-4H3
InChIKeyHJPPXJWYJXLTBG-UHFFFAOYSA-N
MW343.43 g/mol
LogP4.77
Rot. Bonds3

About N-(2,4-dimethylphenyl)-5-methyl-2-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

N-(2,4-dimethylphenyl)-5-methyl-2-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 23608669) has the molecular formula C21H21N5 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-5-methyl-2-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-5-methyl-2-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID23608669
Molecular FormulaC21H21N5
Molecular Weight343.43 g/mol
Exact Mass343.18
IUPAC NameN-(2,4-dimethylphenyl)-5-methyl-2-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cccc(-c2nc3nc(C)cc(Nc4ccc(C)cc4C)n3n2)c1
InChIInChI=1S/C21H21N5/c1-13-6-5-7-17(11-13)20-24-21-22-16(4)12-19(26(21)25-20)23-18-9-8-14(2)10-15(18)3/h5-12,23H,1-4H3
InChIKeyHJPPXJWYJXLTBG-UHFFFAOYSA-N
XLogP4.77
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N,4-N-dimethyl-1-N-[5-methyl-2-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]benzene-1,4-diamine
CID 23608663
5-methyl-2-(3-methylphenyl)-N-[2-piperidin-1-yl-4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 22433770
5-methyl-N-(2-methylphenyl)-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 52998550
2-[(4-chlorophenyl)methyl]-N-(2,4-dimethylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 23608734
2-(4-chlorophenyl)-N-(2,3-dimethylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 23608497
5-methyl-2-(2-methylphenyl)-N-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 23608624
N-(3-fluorophenyl)-5-methyl-2-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 22575553
N-(1,3-benzodioxol-5-ylmethyl)-5-methyl-2-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 22575586
N-(3-chloro-4-methylphenyl)-5-methyl-2-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 23608472
N-ethyl-5-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 20961806
1-[3-[(5-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]ethanone
CID 23608422
2-(4-tert-butylphenyl)-N-(2-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 23608518

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-5-methyl-2-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-(2,4-dimethylphenyl)-5-methyl-2-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 23608669) is N-(2,4-dimethylphenyl)-5-methyl-2-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-(2,4-dimethylphenyl)-5-methyl-2-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-(2,4-dimethylphenyl)-5-methyl-2-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1cccc(-c2nc3nc(C)cc(Nc4ccc(C)cc4C)n3n2)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-5-methyl-2-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is HJPPXJWYJXLTBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5/c1-13-6-5-7-17(11-13)20-24-21-22-16(4)12-19(26(21)25-20)23-18-9-8-14(2)10-15(18)3/h5-12,23H,1-4H3.
What are the key properties of N-(2,4-dimethylphenyl)-5-methyl-2-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-(2,4-dimethylphenyl)-5-methyl-2-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 343.43 g/mol, XLogP of 4.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-5-methyl-2-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 23608669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).