4-N-(3-amino-4-methylphenyl)-2-N-tert-butyl-6-chloro-1,3,5-triazine-2,4-diamine

C14H19ClN6 — CID 20645289

IUPAC4-N-(3-amino-4-methylphenyl)-2-N-tert-butyl-6-chloro-1,3,5-triazine-2,4-diamine
SMILESCc1ccc(Nc2nc(Cl)nc(NC(C)(C)C)n2)cc1N
InChIInChI=1S/C14H19ClN6/c1-8-5-6-9(7-10(8)16)17-12-18-11(15)19-13(20-12)21-14(2,3)4/h5-7H,16H2,1-4H3,(H2,17,18,19,20,21)
InChIKeyKBZWTRWDAAKESY-UHFFFAOYSA-N
MW306.80 g/mol
LogP3.37
Rot. Bonds3

About 4-N-(3-amino-4-methylphenyl)-2-N-tert-butyl-6-chloro-1,3,5-triazine-2,4-diamine

4-N-(3-amino-4-methylphenyl)-2-N-tert-butyl-6-chloro-1,3,5-triazine-2,4-diamine (PubChem CID 20645289) has the molecular formula C14H19ClN6 and a molecular weight of 306.80 g/mol. Its IUPAC name is 4-N-(3-amino-4-methylphenyl)-2-N-tert-butyl-6-chloro-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-(3-amino-4-methylphenyl)-2-N-tert-butyl-6-chloro-1,3,5-triazine-2,4-diamine
PubChem CID20645289
Molecular FormulaC14H19ClN6
Molecular Weight306.80 g/mol
Exact Mass306.14
IUPAC Name4-N-(3-amino-4-methylphenyl)-2-N-tert-butyl-6-chloro-1,3,5-triazine-2,4-diamine
SMILESCc1ccc(Nc2nc(Cl)nc(NC(C)(C)C)n2)cc1N
InChIInChI=1S/C14H19ClN6/c1-8-5-6-9(7-10(8)16)17-12-18-11(15)19-13(20-12)21-14(2,3)4/h5-7H,16H2,1-4H3,(H2,17,18,19,20,21)
InChIKeyKBZWTRWDAAKESY-UHFFFAOYSA-N
XLogP3.37
TPSA88.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.80
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-N-(3-amino-4-methylphenyl)-2-N-tert-butyl-6-chloro-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

2-N-tert-butyl-6-chloro-4-N-(4-chlorophenyl)-1,3,5-triazine-2,4-diamine
CID 753616
6-chloro-4-N-methyl-2-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
CID 80791134
6-chloro-2-N-(3-fluoro-4-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 80762147
2-amino-4-[[4-chloro-6-(2-methylanilino)-1,3,5-triazin-2-yl]amino]benzenesulfonic acid
CID 20645251
2-amino-4-[[4-chloro-6-(2-methyl-4-sulfoanilino)-1,3,5-triazin-2-yl]amino]benzenesulfonic acid
CID 89226276
N-(4-bromo-3-methylphenyl)-4,6-dichloro-1,3,5-triazin-2-amine
CID 55124610
2-[[4-chloro-6-(3-chloro-4-methylanilino)-1,3,5-triazin-2-yl]amino]propane-1,3-diol
CID 58799107
1-N-(4-ethenyl-6-fluoro-1,3,5-triazin-2-yl)-4-methylbenzene-1,3-diamine
CID 20645295
2-N-(4-bromo-3-chlorophenyl)-6-chloro-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 107617918
sodium 2-amino-4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]benzenesulfonate
CID 23684092
5-N-tert-butyl-6-N-(3-chloro-4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 56695489
2-N,4-N-bis(3-amino-4-methylphenyl)-5-fluoropyrimidine-2,4-diamine
CID 22060880

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-amino-4-methylphenyl)-2-N-tert-butyl-6-chloro-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-(3-amino-4-methylphenyl)-2-N-tert-butyl-6-chloro-1,3,5-triazine-2,4-diamine (CID 20645289) is 4-N-(3-amino-4-methylphenyl)-2-N-tert-butyl-6-chloro-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-(3-amino-4-methylphenyl)-2-N-tert-butyl-6-chloro-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-(3-amino-4-methylphenyl)-2-N-tert-butyl-6-chloro-1,3,5-triazine-2,4-diamine is Cc1ccc(Nc2nc(Cl)nc(NC(C)(C)C)n2)cc1N.
What is the InChIKey of 4-N-(3-amino-4-methylphenyl)-2-N-tert-butyl-6-chloro-1,3,5-triazine-2,4-diamine?
The InChIKey is KBZWTRWDAAKESY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN6/c1-8-5-6-9(7-10(8)16)17-12-18-11(15)19-13(20-12)21-14(2,3)4/h5-7H,16H2,1-4H3,(H2,17,18,19,20,21).
What are the key properties of 4-N-(3-amino-4-methylphenyl)-2-N-tert-butyl-6-chloro-1,3,5-triazine-2,4-diamine?
4-N-(3-amino-4-methylphenyl)-2-N-tert-butyl-6-chloro-1,3,5-triazine-2,4-diamine has a molecular weight of 306.80 g/mol, XLogP of 3.37, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-amino-4-methylphenyl)-2-N-tert-butyl-6-chloro-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 20645289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).