2-N-(4-tert-butylphenyl)-4-N-[(2-chlorophenyl)methyl]-6-methyl-1,3,5-triazine-2,4-diamine

C21H24ClN5 — CID 11176492

IUPAC2-N-(4-tert-butylphenyl)-4-N-[(2-chlorophenyl)methyl]-6-methyl-1,3,5-triazine-2,4-diamine
SMILESCc1nc(NCc2ccccc2Cl)nc(Nc2ccc(C(C)(C)C)cc2)n1
InChIInChI=1S/C21H24ClN5/c1-14-24-19(23-13-15-7-5-6-8-18(15)22)27-20(25-14)26-17-11-9-16(10-12-17)21(2,3)4/h5-12H,13H2,1-4H3,(H2,23,24,25,26,27)
InChIKeyAFRFZLDEJNHYMW-UHFFFAOYSA-N
MW381.91 g/mol
LogP5.49
Rot. Bonds5

About 2-N-(4-tert-butylphenyl)-4-N-[(2-chlorophenyl)methyl]-6-methyl-1,3,5-triazine-2,4-diamine

2-N-(4-tert-butylphenyl)-4-N-[(2-chlorophenyl)methyl]-6-methyl-1,3,5-triazine-2,4-diamine (PubChem CID 11176492) has the molecular formula C21H24ClN5 and a molecular weight of 381.91 g/mol. Its IUPAC name is 2-N-(4-tert-butylphenyl)-4-N-[(2-chlorophenyl)methyl]-6-methyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(4-tert-butylphenyl)-4-N-[(2-chlorophenyl)methyl]-6-methyl-1,3,5-triazine-2,4-diamine
PubChem CID11176492
Molecular FormulaC21H24ClN5
Molecular Weight381.91 g/mol
Exact Mass381.17
IUPAC Name2-N-(4-tert-butylphenyl)-4-N-[(2-chlorophenyl)methyl]-6-methyl-1,3,5-triazine-2,4-diamine
SMILESCc1nc(NCc2ccccc2Cl)nc(Nc2ccc(C(C)(C)C)cc2)n1
InChIInChI=1S/C21H24ClN5/c1-14-24-19(23-13-15-7-5-6-8-18(15)22)27-20(25-14)26-17-11-9-16(10-12-17)21(2,3)4/h5-12H,13H2,1-4H3,(H2,23,24,25,26,27)
InChIKeyAFRFZLDEJNHYMW-UHFFFAOYSA-N
XLogP5.49
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.91
LogP ≤ 55.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-N-(4-tert-butylphenyl)-4-N-[(2-chlorophenyl)methyl]-6-methyl-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

2-N-(4-tert-butylphenyl)-6-chloro-4-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine-2,4-diamine
CID 11154803
2-N-[(2-chlorophenyl)methyl]-6-methyl-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112917931
N-(4-tert-butylphenyl)-4-chloro-6-[(2-chlorophenyl)methoxy]-1,3,5-triazin-2-amine
CID 11338621
4-N-[(2-chlorophenyl)methyl]-6-methyl-2-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 112917792
4-N-[[3-[[[4-(4-tert-butylanilino)-6-chloro-1,3,5-triazin-2-yl]amino]methyl]phenyl]methyl]-2-N-(4-tert-butylphenyl)-6-chloro-1,3,5-triazine-2,4-diamine
CID 101120335
6-chloro-2-N-[(2-chlorophenyl)methyl]-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 80786435
6-chloro-N-[(2-chlorophenyl)methyl]-2,5-dimethylpyrimidin-4-amine
CID 63727891
2-N-(4-tert-butylphenyl)-4-N-[(2-methoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112918230
methyl 4-[[4-[(2-chlorophenyl)methylamino]-6-methylpyrimidin-2-yl]amino]benzoate
CID 112917833
2-N-[(2-chlorophenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 71945279
2-N-(4-tert-butylphenyl)-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112892179
6-N-[(2-chlorophenyl)methyl]-2-methyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine
CID 112872618

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-tert-butylphenyl)-4-N-[(2-chlorophenyl)methyl]-6-methyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(4-tert-butylphenyl)-4-N-[(2-chlorophenyl)methyl]-6-methyl-1,3,5-triazine-2,4-diamine (CID 11176492) is 2-N-(4-tert-butylphenyl)-4-N-[(2-chlorophenyl)methyl]-6-methyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(4-tert-butylphenyl)-4-N-[(2-chlorophenyl)methyl]-6-methyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(4-tert-butylphenyl)-4-N-[(2-chlorophenyl)methyl]-6-methyl-1,3,5-triazine-2,4-diamine is Cc1nc(NCc2ccccc2Cl)nc(Nc2ccc(C(C)(C)C)cc2)n1.
What is the InChIKey of 2-N-(4-tert-butylphenyl)-4-N-[(2-chlorophenyl)methyl]-6-methyl-1,3,5-triazine-2,4-diamine?
The InChIKey is AFRFZLDEJNHYMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN5/c1-14-24-19(23-13-15-7-5-6-8-18(15)22)27-20(25-14)26-17-11-9-16(10-12-17)21(2,3)4/h5-12H,13H2,1-4H3,(H2,23,24,25,26,27).
What are the key properties of 2-N-(4-tert-butylphenyl)-4-N-[(2-chlorophenyl)methyl]-6-methyl-1,3,5-triazine-2,4-diamine?
2-N-(4-tert-butylphenyl)-4-N-[(2-chlorophenyl)methyl]-6-methyl-1,3,5-triazine-2,4-diamine has a molecular weight of 381.91 g/mol, XLogP of 5.49, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-tert-butylphenyl)-4-N-[(2-chlorophenyl)methyl]-6-methyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 11176492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).