6-N-[(3-chlorophenyl)methyl]-4-N-(2,3-dihydro-1H-inden-2-yl)-2-N-methoxy-1,3,5-triazine-2,4,6-triamine

C20H21ClN6O — CID 134107698

IUPAC6-N-[(3-chlorophenyl)methyl]-4-N-(2,3-dihydro-1H-inden-2-yl)-2-N-methoxy-1,3,5-triazine-2,4,6-triamine
SMILESCONc1nc(NCc2cccc(Cl)c2)nc(NC2Cc3ccccc3C2)n1
InChIInChI=1S/C20H21ClN6O/c1-28-27-20-25-18(22-12-13-5-4-8-16(21)9-13)24-19(26-20)23-17-10-14-6-2-3-7-15(14)11-17/h2-9,17H,10-12H2,1H3,(H3,22,23,24,25,26,27)
InChIKeyAMWPFWRVHUYAMK-UHFFFAOYSA-N
MW396.88 g/mol
LogP3.69
Rot. Bonds7

About 6-N-[(3-chlorophenyl)methyl]-4-N-(2,3-dihydro-1H-inden-2-yl)-2-N-methoxy-1,3,5-triazine-2,4,6-triamine

6-N-[(3-chlorophenyl)methyl]-4-N-(2,3-dihydro-1H-inden-2-yl)-2-N-methoxy-1,3,5-triazine-2,4,6-triamine (PubChem CID 134107698) has the molecular formula C20H21ClN6O and a molecular weight of 396.88 g/mol. Its IUPAC name is 6-N-[(3-chlorophenyl)methyl]-4-N-(2,3-dihydro-1H-inden-2-yl)-2-N-methoxy-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name6-N-[(3-chlorophenyl)methyl]-4-N-(2,3-dihydro-1H-inden-2-yl)-2-N-methoxy-1,3,5-triazine-2,4,6-triamine
PubChem CID134107698
Molecular FormulaC20H21ClN6O
Molecular Weight396.88 g/mol
Exact Mass396.15
IUPAC Name6-N-[(3-chlorophenyl)methyl]-4-N-(2,3-dihydro-1H-inden-2-yl)-2-N-methoxy-1,3,5-triazine-2,4,6-triamine
SMILESCONc1nc(NCc2cccc(Cl)c2)nc(NC2Cc3ccccc3C2)n1
InChIInChI=1S/C20H21ClN6O/c1-28-27-20-25-18(22-12-13-5-4-8-16(21)9-13)24-19(26-20)23-17-10-14-6-2-3-7-15(14)11-17/h2-9,17H,10-12H2,1H3,(H3,22,23,24,25,26,27)
InChIKeyAMWPFWRVHUYAMK-UHFFFAOYSA-N
XLogP3.69
TPSA83.99 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.88
LogP ≤ 53.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 6-N-[(3-chlorophenyl)methyl]-4-N-(2,3-dihydro-1H-inden-2-yl)-2-N-methoxy-1,3,5-triazine-2,4,6-triamine with MolForge

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Related Compounds

4-chloro-2-[[4-(2,3-dihydro-1H-inden-2-ylamino)-6-[(3-methoxyphenyl)methylamino]-1,3,5-triazin-2-yl]amino]phenol
CID 134108210
methyl 4-[[[4-chloro-6-(2,3-dihydro-1H-inden-2-ylamino)-1,3,5-triazin-2-yl]amino]methyl]benzoate
CID 22478849
2-N-[(3-chlorophenyl)methyl]-6-ethoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80832203
4-chloro-N-[(3-chlorophenyl)methyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 62863657
1-(3-chlorophenyl)-N-methoxymethanamine
CID 60702249
2-N-cyclohexyl-4-N-[(3-methoxyphenyl)methyl]-6-N-[(4-methylphenyl)methyl]-1,3,5-triazine-2,4,6-triamine
CID 23900797
4-[[[4-amino-6-(2,3-dihydro-1H-inden-2-ylamino)-1,3,5-triazin-2-yl]amino]methyl]-N-(2-aminophenyl)benzamide
CID 22478847
N-[(3-chlorophenyl)methyl]-3,4-dihydro-2H-chromen-3-amine
CID 45244633
N-(2-aminophenyl)-4-[[[4-[2-(3-chlorophenyl)ethylamino]-6-(cyclopropylamino)-1,3,5-triazin-2-yl]amino]methyl]benzamide
CID 20786062
N-[(3-chlorophenyl)methyl]-6-methylsulfonylpyridin-3-amine
CID 43675273
2-N-[2-(3-chlorophenyl)ethyl]-4-N-cyclopropyl-6-phenylpyrimidine-2,4-diamine
CID 112932996
N-[(3-chlorophenyl)methyl]-2,6-diethylaniline
CID 4712071

Frequently Asked Questions

What is the IUPAC name of 6-N-[(3-chlorophenyl)methyl]-4-N-(2,3-dihydro-1H-inden-2-yl)-2-N-methoxy-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 6-N-[(3-chlorophenyl)methyl]-4-N-(2,3-dihydro-1H-inden-2-yl)-2-N-methoxy-1,3,5-triazine-2,4,6-triamine (CID 134107698) is 6-N-[(3-chlorophenyl)methyl]-4-N-(2,3-dihydro-1H-inden-2-yl)-2-N-methoxy-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 6-N-[(3-chlorophenyl)methyl]-4-N-(2,3-dihydro-1H-inden-2-yl)-2-N-methoxy-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 6-N-[(3-chlorophenyl)methyl]-4-N-(2,3-dihydro-1H-inden-2-yl)-2-N-methoxy-1,3,5-triazine-2,4,6-triamine is CONc1nc(NCc2cccc(Cl)c2)nc(NC2Cc3ccccc3C2)n1.
What is the InChIKey of 6-N-[(3-chlorophenyl)methyl]-4-N-(2,3-dihydro-1H-inden-2-yl)-2-N-methoxy-1,3,5-triazine-2,4,6-triamine?
The InChIKey is AMWPFWRVHUYAMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN6O/c1-28-27-20-25-18(22-12-13-5-4-8-16(21)9-13)24-19(26-20)23-17-10-14-6-2-3-7-15(14)11-17/h2-9,17H,10-12H2,1H3,(H3,22,23,24,25,26,27).
What are the key properties of 6-N-[(3-chlorophenyl)methyl]-4-N-(2,3-dihydro-1H-inden-2-yl)-2-N-methoxy-1,3,5-triazine-2,4,6-triamine?
6-N-[(3-chlorophenyl)methyl]-4-N-(2,3-dihydro-1H-inden-2-yl)-2-N-methoxy-1,3,5-triazine-2,4,6-triamine has a molecular weight of 396.88 g/mol, XLogP of 3.69, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[(3-chlorophenyl)methyl]-4-N-(2,3-dihydro-1H-inden-2-yl)-2-N-methoxy-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 134107698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).