2-N,4-N-dibutyl-6-diphenylphosphanyl-1,3,5-triazine-2,4-diamine

C23H30N5P — CID 44515508

IUPAC2-N,4-N-dibutyl-6-diphenylphosphanyl-1,3,5-triazine-2,4-diamine
SMILESCCCCNc1nc(NCCCC)nc(P(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C23H30N5P/c1-3-5-17-24-21-26-22(25-18-6-4-2)28-23(27-21)29(19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7-16H,3-6,17-18H2,1-2H3,(H2,24,25,26,27,28)
InChIKeyXXAIZEKWYCLUCR-UHFFFAOYSA-N
MW407.50 g/mol
LogP4.05
Rot. Bonds11

About 2-N,4-N-dibutyl-6-diphenylphosphanyl-1,3,5-triazine-2,4-diamine

2-N,4-N-dibutyl-6-diphenylphosphanyl-1,3,5-triazine-2,4-diamine (PubChem CID 44515508) has the molecular formula C23H30N5P and a molecular weight of 407.50 g/mol. Its IUPAC name is 2-N,4-N-dibutyl-6-diphenylphosphanyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-dibutyl-6-diphenylphosphanyl-1,3,5-triazine-2,4-diamine
PubChem CID44515508
Molecular FormulaC23H30N5P
Molecular Weight407.50 g/mol
Exact Mass407.22
IUPAC Name2-N,4-N-dibutyl-6-diphenylphosphanyl-1,3,5-triazine-2,4-diamine
SMILESCCCCNc1nc(NCCCC)nc(P(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C23H30N5P/c1-3-5-17-24-21-26-22(25-18-6-4-2)28-23(27-21)29(19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7-16H,3-6,17-18H2,1-2H3,(H2,24,25,26,27,28)
InChIKeyXXAIZEKWYCLUCR-UHFFFAOYSA-N
XLogP4.05
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.50
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-N-benzyl-2-N-[[3-[[[4-(benzylamino)-6-(pentylamino)-1,3,5-triazin-2-yl]amino]methyl]phenyl]methyl]-6-N-pentyl-1,3,5-triazine-2,4,6-triamine
CID 11093629
2-N,4-N-bis(2-aminoethyl)-6-N-butyl-1,3,5-triazine-2,4,6-triamine
CID 118119736
4-N,6-N-dibutyl-2-N-(2-ethynylphenyl)-1,3,5-triazine-2,4,6-triamine
CID 177429395
N-butyl-5-phenyl-1H-1,2,4-triazol-3-amine
CID 4266546
butane;triphenylphosphane
CID 161447439
2-(butylamino)-6-methyl-N-phenylpyrimidine-4-carboxamide
CID 109320503
2-N-(4-anilinophenyl)-4-N-hexadecyl-1,3,5-triazine-2,4,6-triamine
CID 110189277
N-butyl-4,6-dichloro-1,3,5-triazin-2-amine
CID 139203727
6-N-[5-[(4,6-dianilino-1,3,5-triazin-2-yl)amino]pentyl]-2-N,4-N-diphenyl-1,3,5-triazine-2,4,6-triamine
CID 20775300
2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-N-butyl-4-N-(3,3-diphenylpropyl)-1,3,5-triazine-2,4,6-triamine
CID 23984657
N-butyl-4-[(4-methoxyphenyl)methyl]-6-phenyl-1,3,5-triazin-2-amine
CID 134997342
4-N-benzyl-2-N-butylpyrimidine-2,4-diamine
CID 112883005

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-dibutyl-6-diphenylphosphanyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,4-N-dibutyl-6-diphenylphosphanyl-1,3,5-triazine-2,4-diamine (CID 44515508) is 2-N,4-N-dibutyl-6-diphenylphosphanyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,4-N-dibutyl-6-diphenylphosphanyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,4-N-dibutyl-6-diphenylphosphanyl-1,3,5-triazine-2,4-diamine is CCCCNc1nc(NCCCC)nc(P(c2ccccc2)c2ccccc2)n1.
What is the InChIKey of 2-N,4-N-dibutyl-6-diphenylphosphanyl-1,3,5-triazine-2,4-diamine?
The InChIKey is XXAIZEKWYCLUCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N5P/c1-3-5-17-24-21-26-22(25-18-6-4-2)28-23(27-21)29(19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7-16H,3-6,17-18H2,1-2H3,(H2,24,25,26,27,28).
What are the key properties of 2-N,4-N-dibutyl-6-diphenylphosphanyl-1,3,5-triazine-2,4-diamine?
2-N,4-N-dibutyl-6-diphenylphosphanyl-1,3,5-triazine-2,4-diamine has a molecular weight of 407.50 g/mol, XLogP of 4.05, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-dibutyl-6-diphenylphosphanyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 44515508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).