4,6-bis(diphenylphosphanyl)-N-[(1R)-1-phenylethyl]-1,3,5-triazin-2-amine

C35H30N4P2 — CID 44516135

IUPAC4,6-bis(diphenylphosphanyl)-N-[(1R)-1-phenylethyl]-1,3,5-triazin-2-amine
SMILESC[C@@H](Nc1nc(P(c2ccccc2)c2ccccc2)nc(P(c2ccccc2)c2ccccc2)n1)c1ccccc1
InChIInChI=1S/C35H30N4P2/c1-27(28-17-7-2-8-18-28)36-33-37-34(40(29-19-9-3-10-20-29)30-21-11-4-12-22-30)39-35(38-33)41(31-23-13-5-14-24-31)32-25-15-6-16-26-32/h2-27H,1H3,(H,36,37,38,39)/t27-/m1/s1
InChIKeyVNBKGPVPTIKJIX-HHHXNRCGSA-N
MW568.60 g/mol
LogP5.56
Rot. Bonds9

About 4,6-bis(diphenylphosphanyl)-N-[(1R)-1-phenylethyl]-1,3,5-triazin-2-amine

4,6-bis(diphenylphosphanyl)-N-[(1R)-1-phenylethyl]-1,3,5-triazin-2-amine (PubChem CID 44516135) has the molecular formula C35H30N4P2 and a molecular weight of 568.60 g/mol. Its IUPAC name is 4,6-bis(diphenylphosphanyl)-N-[(1R)-1-phenylethyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-bis(diphenylphosphanyl)-N-[(1R)-1-phenylethyl]-1,3,5-triazin-2-amine
PubChem CID44516135
Molecular FormulaC35H30N4P2
Molecular Weight568.60 g/mol
Exact Mass568.19
IUPAC Name4,6-bis(diphenylphosphanyl)-N-[(1R)-1-phenylethyl]-1,3,5-triazin-2-amine
SMILESC[C@@H](Nc1nc(P(c2ccccc2)c2ccccc2)nc(P(c2ccccc2)c2ccccc2)n1)c1ccccc1
InChIInChI=1S/C35H30N4P2/c1-27(28-17-7-2-8-18-28)36-33-37-34(40(29-19-9-3-10-20-29)30-21-11-4-12-22-30)39-35(38-33)41(31-23-13-5-14-24-31)32-25-15-6-16-26-32/h2-27H,1H3,(H,36,37,38,39)/t27-/m1/s1
InChIKeyVNBKGPVPTIKJIX-HHHXNRCGSA-N
XLogP5.56
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.60
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4,6-bis(diphenylphosphanyl)-N-[(1R)-1-phenylethyl]-1,3,5-triazin-2-amine with MolForge

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Related Compounds

6-chloro-2-N,4-N-bis(1-phenylethyl)-1,3,5-triazine-2,4-diamine
CID 3767089
4,6-difluoro-N-(1-phenylethyl)-1,3,5-triazin-2-amine
CID 19897292
6-bromo-2-N-(1-phenylethyl)pyrimidine-2,4-diamine
CID 116795404
6-(4-methylphenyl)sulfanyl-2-N,4-N-bis(1-phenylethyl)-1,3,5-triazine-2,4-diamine
CID 5050817
6-[(1S)-1-chloroethyl]-2-N-[(1S)-1-phenylethyl]-1,3,5-triazine-2,4-diamine
CID 59879811
4-chloro-N-(1-phenylethyl)pyrimidin-2-amine
CID 18375668
(1R)-1-phenyl-N-[phenyl-[[(1R)-1-phenylethyl]amino]phosphanyl]ethanamine
CID 102382785
4-chloro-N-(1-phenylethyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 82461228
4-chloro-N-(1-phenylethyl)thieno[2,3-d]pyrimidin-2-amine
CID 82309306
4-(benzimidazol-1-yl)-6-phenyl-N-[(1S)-1-phenylethyl]pyrimidin-2-amine
CID 59924822
2-[[4-(1-phenylethylamino)quinazolin-2-yl]amino]phenol
CID 56729182
4-N-(3,4-dimethylphenyl)-6-methyl-2-N-(1-phenylethyl)pyrimidine-2,4-diamine
CID 112916813

Frequently Asked Questions

What is the IUPAC name of 4,6-bis(diphenylphosphanyl)-N-[(1R)-1-phenylethyl]-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-bis(diphenylphosphanyl)-N-[(1R)-1-phenylethyl]-1,3,5-triazin-2-amine (CID 44516135) is 4,6-bis(diphenylphosphanyl)-N-[(1R)-1-phenylethyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-bis(diphenylphosphanyl)-N-[(1R)-1-phenylethyl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-bis(diphenylphosphanyl)-N-[(1R)-1-phenylethyl]-1,3,5-triazin-2-amine is C[C@@H](Nc1nc(P(c2ccccc2)c2ccccc2)nc(P(c2ccccc2)c2ccccc2)n1)c1ccccc1.
What is the InChIKey of 4,6-bis(diphenylphosphanyl)-N-[(1R)-1-phenylethyl]-1,3,5-triazin-2-amine?
The InChIKey is VNBKGPVPTIKJIX-HHHXNRCGSA-N. The full InChI is InChI=1S/C35H30N4P2/c1-27(28-17-7-2-8-18-28)36-33-37-34(40(29-19-9-3-10-20-29)30-21-11-4-12-22-30)39-35(38-33)41(31-23-13-5-14-24-31)32-25-15-6-16-26-32/h2-27H,1H3,(H,36,37,38,39)/t27-/m1/s1.
What are the key properties of 4,6-bis(diphenylphosphanyl)-N-[(1R)-1-phenylethyl]-1,3,5-triazin-2-amine?
4,6-bis(diphenylphosphanyl)-N-[(1R)-1-phenylethyl]-1,3,5-triazin-2-amine has a molecular weight of 568.60 g/mol, XLogP of 5.56, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis(diphenylphosphanyl)-N-[(1R)-1-phenylethyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 44516135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).