2-N-(4-methoxyphenyl)-4-N,6-diphenyl-1,3,5-triazine-2,4-diamine

C22H19N5O — CID 135029980

IUPAC2-N-(4-methoxyphenyl)-4-N,6-diphenyl-1,3,5-triazine-2,4-diamine
SMILESCOc1ccc(Nc2nc(Nc3ccccc3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C22H19N5O/c1-28-19-14-12-18(13-15-19)24-22-26-20(16-8-4-2-5-9-16)25-21(27-22)23-17-10-6-3-7-11-17/h2-15H,1H3,(H2,23,24,25,26,27)
InChIKeyXDMARHSXDIRKHT-UHFFFAOYSA-N
MW369.43 g/mol
LogP5.03
Rot. Bonds6

About 2-N-(4-methoxyphenyl)-4-N,6-diphenyl-1,3,5-triazine-2,4-diamine

2-N-(4-methoxyphenyl)-4-N,6-diphenyl-1,3,5-triazine-2,4-diamine (PubChem CID 135029980) has the molecular formula C22H19N5O and a molecular weight of 369.43 g/mol. Its IUPAC name is 2-N-(4-methoxyphenyl)-4-N,6-diphenyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(4-methoxyphenyl)-4-N,6-diphenyl-1,3,5-triazine-2,4-diamine
PubChem CID135029980
Molecular FormulaC22H19N5O
Molecular Weight369.43 g/mol
Exact Mass369.16
IUPAC Name2-N-(4-methoxyphenyl)-4-N,6-diphenyl-1,3,5-triazine-2,4-diamine
SMILESCOc1ccc(Nc2nc(Nc3ccccc3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C22H19N5O/c1-28-19-14-12-18(13-15-19)24-22-26-20(16-8-4-2-5-9-16)25-21(27-22)23-17-10-6-3-7-11-17/h2-15H,1H3,(H2,23,24,25,26,27)
InChIKeyXDMARHSXDIRKHT-UHFFFAOYSA-N
XLogP5.03
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.43
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N*2*-Benzyl-N*4*-(4-methoxy-phenyl)-6-methyl-pyrimidine-2,4-diamine
CID 807557
N~4~-benzyl-N~2~-(4-methoxyphenyl)quinazoline-2,4-diamine
CID 1330474
CID 2952997
CID 2952997
N-(4-methoxyphenyl)-6-[(4-methylpiperidin-1-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 944935
[1,3,5]Triazine-2,4-diamine, 6-chloro-N-(4-methoxyphenyl)-N'-(3-trifluoromethylphenyl)-
CID 3620709
6-chloro-N,N'-bis(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 23191
2-N-(4-methoxy-2-methylphenyl)-4-N-methyl-4-N-phenylquinazoline-2,4-diamine
CID 10044675
4-(N-Methylphenylamino)-2-[(2-methylphenyl)amino]6-methoxyquinazoline
CID 10339143
N*4*-(4-Methoxy-phenyl)-N*4*-methyl-N*2*-o-tolyl-quinazoline-2,4-diamine
CID 10406847
N-(4-methoxyphenyl)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide
CID 15980696
2-N,4-N-bis(4-methoxyphenyl)quinazoline-2,4-diamine;hydrochloride
CID 17324428
N*2*-(4-Methoxy-phenyl)-N*4*-phenyl-quinazoline-2,4-diamine
CID 44271506

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-methoxyphenyl)-4-N,6-diphenyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(4-methoxyphenyl)-4-N,6-diphenyl-1,3,5-triazine-2,4-diamine (CID 135029980) is 2-N-(4-methoxyphenyl)-4-N,6-diphenyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(4-methoxyphenyl)-4-N,6-diphenyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(4-methoxyphenyl)-4-N,6-diphenyl-1,3,5-triazine-2,4-diamine is COc1ccc(Nc2nc(Nc3ccccc3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 2-N-(4-methoxyphenyl)-4-N,6-diphenyl-1,3,5-triazine-2,4-diamine?
The InChIKey is XDMARHSXDIRKHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O/c1-28-19-14-12-18(13-15-19)24-22-26-20(16-8-4-2-5-9-16)25-21(27-22)23-17-10-6-3-7-11-17/h2-15H,1H3,(H2,23,24,25,26,27).
What are the key properties of 2-N-(4-methoxyphenyl)-4-N,6-diphenyl-1,3,5-triazine-2,4-diamine?
2-N-(4-methoxyphenyl)-4-N,6-diphenyl-1,3,5-triazine-2,4-diamine has a molecular weight of 369.43 g/mol, XLogP of 5.03, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-methoxyphenyl)-4-N,6-diphenyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 135029980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).