4-N-ethyl-1-N-[6-(3-phenylphenyl)pyrimidin-4-yl]-4-N-tritiophosphanylbenzene-1,4-diamine

C24H23N4P — CID 59035129

IUPAC4-N-ethyl-1-N-[6-(3-phenylphenyl)pyrimidin-4-yl]-4-N-tritiophosphanylbenzene-1,4-diamine
SMILES[3H]PN(CC)c1ccc(Nc2cc(-c3cccc(-c4ccccc4)c3)ncn2)cc1
InChIInChI=1S/C24H23N4P/c1-2-28(29)22-13-11-21(12-14-22)27-24-16-23(25-17-26-24)20-10-6-9-19(15-20)18-7-4-3-5-8-18/h3-17H,2,29H2,1H3,(H,25,26,27)/i29T
InChIKeyCUKCIZPYDDNHGZ-FZOYFJBJSA-N
MW400.46 g/mol
LogP6.17
Rot. Bonds7

About 4-N-ethyl-1-N-[6-(3-phenylphenyl)pyrimidin-4-yl]-4-N-tritiophosphanylbenzene-1,4-diamine

4-N-ethyl-1-N-[6-(3-phenylphenyl)pyrimidin-4-yl]-4-N-tritiophosphanylbenzene-1,4-diamine (PubChem CID 59035129) has the molecular formula C24H23N4P and a molecular weight of 400.46 g/mol. Its IUPAC name is 4-N-ethyl-1-N-[6-(3-phenylphenyl)pyrimidin-4-yl]-4-N-tritiophosphanylbenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-1-N-[6-(3-phenylphenyl)pyrimidin-4-yl]-4-N-tritiophosphanylbenzene-1,4-diamine
PubChem CID59035129
Molecular FormulaC24H23N4P
Molecular Weight400.46 g/mol
Exact Mass400.17
IUPAC Name4-N-ethyl-1-N-[6-(3-phenylphenyl)pyrimidin-4-yl]-4-N-tritiophosphanylbenzene-1,4-diamine
SMILES[3H]PN(CC)c1ccc(Nc2cc(-c3cccc(-c4ccccc4)c3)ncn2)cc1
InChIInChI=1S/C24H23N4P/c1-2-28(29)22-13-11-21(12-14-22)27-24-16-23(25-17-26-24)20-10-6-9-19(15-20)18-7-4-3-5-8-18/h3-17H,2,29H2,1H3,(H,25,26,27)/i29T
InChIKeyCUKCIZPYDDNHGZ-FZOYFJBJSA-N
XLogP6.17
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.46
LogP ≤ 56.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-N-(2-chloroethyl)-4-N-ethyl-1-N-[6-(3-phenylphenyl)pyrimidin-4-yl]benzene-1,4-diamine;ethane
CID 91171853
4-N-ethyl-4-N-[2-(2-morpholin-4-ylethylamino)ethyl]-1-N-[6-(3-phenylphenyl)pyrimidin-4-yl]benzene-1,4-diamine
CID 11398317
1-N-(6-methylpyrimidin-4-yl)-4-N-(6-phenylpyrimidin-4-yl)benzene-1,4-diamine
CID 108773977
N-(4-bromophenyl)-6-phenylpyrimidin-4-amine
CID 16876814
1-[3-(6-anilinopyrimidin-4-yl)phenyl]ethanone
CID 117088334
N-(4-phenoxyphenyl)-6-phenylpyrimidin-4-amine
CID 117089637
4-[(6-phenylpyrimidin-4-yl)amino]benzoic acid
CID 1408950
N-(6-methyl-3-pyridinyl)-6-phenylpyrimidin-4-amine
CID 58119047
4-N-[4-(dimethylamino)phenyl]-6-N-phenylpyrimidine-4,6-diamine
CID 112864777
N-(4-tert-butylphenyl)-6-(3-methylphenyl)pyrimidin-4-amine
CID 11209329
4-[(6-phenylpyrimidin-4-yl)amino]benzoic acid;hydrochloride
CID 16876551
6-N-[4-(diethylamino)phenyl]-4-N-methyl-4-N-phenylpyrimidine-4,6-diamine
CID 112865025

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-1-N-[6-(3-phenylphenyl)pyrimidin-4-yl]-4-N-tritiophosphanylbenzene-1,4-diamine?
The IUPAC name of 4-N-ethyl-1-N-[6-(3-phenylphenyl)pyrimidin-4-yl]-4-N-tritiophosphanylbenzene-1,4-diamine (CID 59035129) is 4-N-ethyl-1-N-[6-(3-phenylphenyl)pyrimidin-4-yl]-4-N-tritiophosphanylbenzene-1,4-diamine.
What is the SMILES notation for 4-N-ethyl-1-N-[6-(3-phenylphenyl)pyrimidin-4-yl]-4-N-tritiophosphanylbenzene-1,4-diamine?
The canonical SMILES for 4-N-ethyl-1-N-[6-(3-phenylphenyl)pyrimidin-4-yl]-4-N-tritiophosphanylbenzene-1,4-diamine is [3H]PN(CC)c1ccc(Nc2cc(-c3cccc(-c4ccccc4)c3)ncn2)cc1.
What is the InChIKey of 4-N-ethyl-1-N-[6-(3-phenylphenyl)pyrimidin-4-yl]-4-N-tritiophosphanylbenzene-1,4-diamine?
The InChIKey is CUKCIZPYDDNHGZ-FZOYFJBJSA-N. The full InChI is InChI=1S/C24H23N4P/c1-2-28(29)22-13-11-21(12-14-22)27-24-16-23(25-17-26-24)20-10-6-9-19(15-20)18-7-4-3-5-8-18/h3-17H,2,29H2,1H3,(H,25,26,27)/i29T.
What are the key properties of 4-N-ethyl-1-N-[6-(3-phenylphenyl)pyrimidin-4-yl]-4-N-tritiophosphanylbenzene-1,4-diamine?
4-N-ethyl-1-N-[6-(3-phenylphenyl)pyrimidin-4-yl]-4-N-tritiophosphanylbenzene-1,4-diamine has a molecular weight of 400.46 g/mol, XLogP of 6.17, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-1-N-[6-(3-phenylphenyl)pyrimidin-4-yl]-4-N-tritiophosphanylbenzene-1,4-diamine is sourced from PubChem (CID 59035129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).