4-N-(4-methylphenyl)-6-N-phenyl-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine;hydrochloride

C19H23ClN6 — CID 134150531

IUPAC4-N-(4-methylphenyl)-6-N-phenyl-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine;hydrochloride
SMILESCc1ccc(Nc2nc(Nc3ccccc3)nc(NC(C)C)n2)cc1.Cl
InChIInChI=1S/C19H22N6.ClH/c1-13(2)20-17-23-18(21-15-7-5-4-6-8-15)25-19(24-17)22-16-11-9-14(3)10-12-16;/h4-13H,1-3H3,(H3,20,21,22,23,24,25);1H
InChIKeyFWGQQPCJQRHCHX-UHFFFAOYSA-N
MW370.89 g/mol
LogP4.91
Rot. Bonds6

About 4-N-(4-methylphenyl)-6-N-phenyl-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine;hydrochloride

4-N-(4-methylphenyl)-6-N-phenyl-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine;hydrochloride (PubChem CID 134150531) has the molecular formula C19H23ClN6 and a molecular weight of 370.89 g/mol. Its IUPAC name is 4-N-(4-methylphenyl)-6-N-phenyl-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine;hydrochloride.

Molecular Properties

Compound Name4-N-(4-methylphenyl)-6-N-phenyl-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine;hydrochloride
PubChem CID134150531
Molecular FormulaC19H23ClN6
Molecular Weight370.89 g/mol
Exact Mass370.17
IUPAC Name4-N-(4-methylphenyl)-6-N-phenyl-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine;hydrochloride
SMILESCc1ccc(Nc2nc(Nc3ccccc3)nc(NC(C)C)n2)cc1.Cl
InChIInChI=1S/C19H22N6.ClH/c1-13(2)20-17-23-18(21-15-7-5-4-6-8-15)25-19(24-17)22-16-11-9-14(3)10-12-16;/h4-13H,1-3H3,(H3,20,21,22,23,24,25);1H
InChIKeyFWGQQPCJQRHCHX-UHFFFAOYSA-N
XLogP4.91
TPSA74.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.89
LogP ≤ 54.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-N-(4-methylphenyl)-6-N-phenyl-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine;hydrochloride with MolForge

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Related Compounds

4-N-(4-bromophenyl)-6-N-phenyl-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine
CID 134138490
6-N-phenyl-4-N-(2-phenylphenyl)-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine
CID 118470770
2-N-methyl-2-N,6-N-diphenyl-4-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine
CID 155667011
4-N-(4-methylphenyl)-6-phenyl-2-N-propan-2-ylpyrimidine-2,4-diamine
CID 112932857
(2S)-2-[[4-anilino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]amino]propan-1-ol;hydrochloride
CID 134152755
2-N,4-N,6-N-tris[4-[4-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine-2,4,6-triamine
CID 146533849
2-N-phenyl-4-N-propan-2-ylquinazoline-2,4-diamine
CID 91966042
2-N,4-N-bis(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine
CID 12655286
N-phenyl-4,6-di(propan-2-yl)pyrimidin-2-amine
CID 104609384
2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)amino]propan-1-ol
CID 141026020
2-anilino-4,6-dimethylpyrimidin-5-ol
CID 45097442
4-methyl-N-(4-methylphenyl)aniline;naphthalene
CID 174486958

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-methylphenyl)-6-N-phenyl-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine;hydrochloride?
The IUPAC name of 4-N-(4-methylphenyl)-6-N-phenyl-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine;hydrochloride (CID 134150531) is 4-N-(4-methylphenyl)-6-N-phenyl-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine;hydrochloride.
What is the SMILES notation for 4-N-(4-methylphenyl)-6-N-phenyl-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine;hydrochloride?
The canonical SMILES for 4-N-(4-methylphenyl)-6-N-phenyl-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine;hydrochloride is Cc1ccc(Nc2nc(Nc3ccccc3)nc(NC(C)C)n2)cc1.Cl.
What is the InChIKey of 4-N-(4-methylphenyl)-6-N-phenyl-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine;hydrochloride?
The InChIKey is FWGQQPCJQRHCHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6.ClH/c1-13(2)20-17-23-18(21-15-7-5-4-6-8-15)25-19(24-17)22-16-11-9-14(3)10-12-16;/h4-13H,1-3H3,(H3,20,21,22,23,24,25);1H.
What are the key properties of 4-N-(4-methylphenyl)-6-N-phenyl-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine;hydrochloride?
4-N-(4-methylphenyl)-6-N-phenyl-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine;hydrochloride has a molecular weight of 370.89 g/mol, XLogP of 4.91, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-methylphenyl)-6-N-phenyl-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine;hydrochloride is sourced from PubChem (CID 134150531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).