2-N-(2,3-dihydro-1H-inden-1-yl)-4-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine

C21H23N5O3 — CID 23536734

IUPAC2-N-(2,3-dihydro-1H-inden-1-yl)-4-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine
SMILESCOc1cc(Nc2ncnc(NC3CCc4ccccc43)n2)cc(OC)c1OC
InChIInChI=1S/C21H23N5O3/c1-27-17-10-14(11-18(28-2)19(17)29-3)24-20-22-12-23-21(26-20)25-16-9-8-13-6-4-5-7-15(13)16/h4-7,10-12,16H,8-9H2,1-3H3,(H2,22,23,24,25,26)
InChIKeyUHSMYGXVVFAZMB-UHFFFAOYSA-N
MW393.45 g/mol
LogP3.74
Rot. Bonds7

About 2-N-(2,3-dihydro-1H-inden-1-yl)-4-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine

2-N-(2,3-dihydro-1H-inden-1-yl)-4-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine (PubChem CID 23536734) has the molecular formula C21H23N5O3 and a molecular weight of 393.45 g/mol. Its IUPAC name is 2-N-(2,3-dihydro-1H-inden-1-yl)-4-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2,3-dihydro-1H-inden-1-yl)-4-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine
PubChem CID23536734
Molecular FormulaC21H23N5O3
Molecular Weight393.45 g/mol
Exact Mass393.18
IUPAC Name2-N-(2,3-dihydro-1H-inden-1-yl)-4-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine
SMILESCOc1cc(Nc2ncnc(NC3CCc4ccccc43)n2)cc(OC)c1OC
InChIInChI=1S/C21H23N5O3/c1-27-17-10-14(11-18(28-2)19(17)29-3)24-20-22-12-23-21(26-20)25-16-9-8-13-6-4-5-7-15(13)16/h4-7,10-12,16H,8-9H2,1-3H3,(H2,22,23,24,25,26)
InChIKeyUHSMYGXVVFAZMB-UHFFFAOYSA-N
XLogP3.74
TPSA90.42 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-N-(2,3-dihydro-1H-inden-1-yl)-4-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

4-phenyl-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine
CID 23536125
(1S,2S,4R)-4-[[4-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]-1,3,5-triazin-2-yl]amino]-2-methylcyclopentan-1-ol
CID 123868395
2-methyl-5-[[4-(3,4,5-trimethoxyanilino)-1,3,5-triazin-2-yl]amino]phenol
CID 23535780
4-N-quinolin-8-yl-2-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 23536693
oxolan-3-yl N-[3-[[4-(3,4,5-trimethoxyanilino)-1,3,5-triazin-2-yl]amino]phenyl]carbamate
CID 23536804
1-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1H-indene
CID 91416064
2-N-cyclopentyl-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
CID 112884414
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 165069432
2-N-(4-methoxyphenyl)-2-N-methyl-4-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 23536634
2-N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]-4-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 23536686
5-bromo-4-[(2-ethyl-1,2,3,4-tetrahydroquinolin-8-yl)oxy]-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine
CID 118905982
4-(3-chloroindazol-1-yl)-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine
CID 23535996

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,3-dihydro-1H-inden-1-yl)-4-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(2,3-dihydro-1H-inden-1-yl)-4-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine (CID 23536734) is 2-N-(2,3-dihydro-1H-inden-1-yl)-4-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(2,3-dihydro-1H-inden-1-yl)-4-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(2,3-dihydro-1H-inden-1-yl)-4-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine is COc1cc(Nc2ncnc(NC3CCc4ccccc43)n2)cc(OC)c1OC.
What is the InChIKey of 2-N-(2,3-dihydro-1H-inden-1-yl)-4-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is UHSMYGXVVFAZMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O3/c1-27-17-10-14(11-18(28-2)19(17)29-3)24-20-22-12-23-21(26-20)25-16-9-8-13-6-4-5-7-15(13)16/h4-7,10-12,16H,8-9H2,1-3H3,(H2,22,23,24,25,26).
What are the key properties of 2-N-(2,3-dihydro-1H-inden-1-yl)-4-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine?
2-N-(2,3-dihydro-1H-inden-1-yl)-4-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 393.45 g/mol, XLogP of 3.74, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,3-dihydro-1H-inden-1-yl)-4-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 23536734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).