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

C18H19BrN6 — CID 134138490

IUPAC4-N-(4-bromophenyl)-6-N-phenyl-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine
SMILESCC(C)Nc1nc(Nc2ccccc2)nc(Nc2ccc(Br)cc2)n1
InChIInChI=1S/C18H19BrN6/c1-12(2)20-16-23-17(21-14-6-4-3-5-7-14)25-18(24-16)22-15-10-8-13(19)9-11-15/h3-12H,1-2H3,(H3,20,21,22,23,24,25)
InChIKeyJHHQBCYOQRPGLN-UHFFFAOYSA-N
MW399.30 g/mol
LogP4.94
Rot. Bonds6

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

4-N-(4-bromophenyl)-6-N-phenyl-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine (PubChem CID 134138490) has the molecular formula C18H19BrN6 and a molecular weight of 399.30 g/mol. Its IUPAC name is 4-N-(4-bromophenyl)-6-N-phenyl-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-(4-bromophenyl)-6-N-phenyl-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine
PubChem CID134138490
Molecular FormulaC18H19BrN6
Molecular Weight399.30 g/mol
Exact Mass398.09
IUPAC Name4-N-(4-bromophenyl)-6-N-phenyl-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine
SMILESCC(C)Nc1nc(Nc2ccccc2)nc(Nc2ccc(Br)cc2)n1
InChIInChI=1S/C18H19BrN6/c1-12(2)20-16-23-17(21-14-6-4-3-5-7-14)25-18(24-16)22-15-10-8-13(19)9-11-15/h3-12H,1-2H3,(H3,20,21,22,23,24,25)
InChIKeyJHHQBCYOQRPGLN-UHFFFAOYSA-N
XLogP4.94
TPSA74.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.30
LogP ≤ 54.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

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Related Compounds

4-N-(4-methylphenyl)-6-N-phenyl-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine;hydrochloride
CID 134150531
2-N-(4-bromophenyl)-4-N-propan-2-ylquinazoline-2,4-diamine
CID 91966058
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
6-[(1S)-1-(4-bromoanilino)ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 25329937
4-N-(4-bromophenyl)-6-methyl-2-N-(1-phenylethyl)pyrimidine-2,4-diamine
CID 112916834
2-N-phenyl-4-N-propan-2-ylquinazoline-2,4-diamine
CID 91966042
4-N-(4-bromophenyl)-2-N-(1-phenylethyl)pyrimidine-2,4-diamine
CID 112890739
(2S)-2-[[4-anilino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]amino]propan-1-ol;hydrochloride
CID 134152755
4-N-(3-bromophenyl)-6-phenyl-2-N-propan-2-ylpyrimidine-2,4-diamine
CID 112932901
6-N-(4-bromophenyl)-2-methyl-4-N-(1-phenylethyl)pyrimidine-4,6-diamine
CID 112872117
N-(4-bromophenyl)-2-[(4,6-dianilino-1,3,5-triazin-2-yl)sulfanyl]butanamide
CID 21371575

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-bromophenyl)-6-N-phenyl-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 4-N-(4-bromophenyl)-6-N-phenyl-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine (CID 134138490) is 4-N-(4-bromophenyl)-6-N-phenyl-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 4-N-(4-bromophenyl)-6-N-phenyl-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 4-N-(4-bromophenyl)-6-N-phenyl-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine is CC(C)Nc1nc(Nc2ccccc2)nc(Nc2ccc(Br)cc2)n1.
What is the InChIKey of 4-N-(4-bromophenyl)-6-N-phenyl-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is JHHQBCYOQRPGLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN6/c1-12(2)20-16-23-17(21-14-6-4-3-5-7-14)25-18(24-16)22-15-10-8-13(19)9-11-15/h3-12H,1-2H3,(H3,20,21,22,23,24,25).
What are the key properties of 4-N-(4-bromophenyl)-6-N-phenyl-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine?
4-N-(4-bromophenyl)-6-N-phenyl-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 399.30 g/mol, XLogP of 4.94, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-bromophenyl)-6-N-phenyl-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 134138490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).