4-N,4-N-dimethyl-6-N-(4-phenoxyphenyl)-2-N-phenylpyrimidine-2,4,6-triamine

C24H23N5O — CID 90770232

IUPAC4-N,4-N-dimethyl-6-N-(4-phenoxyphenyl)-2-N-phenylpyrimidine-2,4,6-triamine
SMILESCN(C)c1cc(Nc2ccc(Oc3ccccc3)cc2)nc(Nc2ccccc2)n1
InChIInChI=1S/C24H23N5O/c1-29(2)23-17-22(27-24(28-23)26-18-9-5-3-6-10-18)25-19-13-15-21(16-14-19)30-20-11-7-4-8-12-20/h3-17H,1-2H3,(H2,25,26,27,28)
InChIKeyWAODFMLYZOWDJS-UHFFFAOYSA-N
MW397.48 g/mol
LogP5.82
Rot. Bonds7

About 4-N,4-N-dimethyl-6-N-(4-phenoxyphenyl)-2-N-phenylpyrimidine-2,4,6-triamine

4-N,4-N-dimethyl-6-N-(4-phenoxyphenyl)-2-N-phenylpyrimidine-2,4,6-triamine (PubChem CID 90770232) has the molecular formula C24H23N5O and a molecular weight of 397.48 g/mol. Its IUPAC name is 4-N,4-N-dimethyl-6-N-(4-phenoxyphenyl)-2-N-phenylpyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name4-N,4-N-dimethyl-6-N-(4-phenoxyphenyl)-2-N-phenylpyrimidine-2,4,6-triamine
PubChem CID90770232
Molecular FormulaC24H23N5O
Molecular Weight397.48 g/mol
Exact Mass397.19
IUPAC Name4-N,4-N-dimethyl-6-N-(4-phenoxyphenyl)-2-N-phenylpyrimidine-2,4,6-triamine
SMILESCN(C)c1cc(Nc2ccc(Oc3ccccc3)cc2)nc(Nc2ccccc2)n1
InChIInChI=1S/C24H23N5O/c1-29(2)23-17-22(27-24(28-23)26-18-9-5-3-6-10-18)25-19-13-15-21(16-14-19)30-20-11-7-4-8-12-20/h3-17H,1-2H3,(H2,25,26,27,28)
InChIKeyWAODFMLYZOWDJS-UHFFFAOYSA-N
XLogP5.82
TPSA62.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.48
LogP ≤ 55.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-N,4-N-dimethyl-6-N-(4-phenoxyphenyl)-2-N-phenylpyrimidine-2,4,6-triamine with MolForge

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Related Compounds

N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-4-phenoxybenzamide
CID 122287304
4-N,4-N-dimethyl-6-N-(2-methylphenyl)-2-N-phenylpyrimidine-2,4,6-triamine
CID 91194048
4-N,4-N-dimethyl-2-N-phenylpyrimidine-2,4,6-triamine
CID 142666881
2-N-(3-fluorophenyl)-6-methyl-4-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine
CID 112931850
4-[[4-methyl-6-(4-phenoxyanilino)pyrimidin-2-yl]amino]benzonitrile
CID 112931853
6-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)-2-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine
CID 112931859
N-[4-[[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]-4-phenoxybenzamide
CID 122296113
3-N-(4-methoxyphenyl)-5-N-(4-phenoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112967421
2-N-[2-(dimethylamino)ethyl]-4-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine
CID 112887236
2-N-methyl-4-N-(4-phenoxyphenyl)-2-N-phenylpyrimidine-2,4-diamine
CID 112902142
6-methyl-4-N-(2-phenoxyphenyl)-2-N-phenylpyrimidine-2,4-diamine
CID 112926974
2-N-(4-fluorophenyl)-4-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine
CID 112903553

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-dimethyl-6-N-(4-phenoxyphenyl)-2-N-phenylpyrimidine-2,4,6-triamine?
The IUPAC name of 4-N,4-N-dimethyl-6-N-(4-phenoxyphenyl)-2-N-phenylpyrimidine-2,4,6-triamine (CID 90770232) is 4-N,4-N-dimethyl-6-N-(4-phenoxyphenyl)-2-N-phenylpyrimidine-2,4,6-triamine.
What is the SMILES notation for 4-N,4-N-dimethyl-6-N-(4-phenoxyphenyl)-2-N-phenylpyrimidine-2,4,6-triamine?
The canonical SMILES for 4-N,4-N-dimethyl-6-N-(4-phenoxyphenyl)-2-N-phenylpyrimidine-2,4,6-triamine is CN(C)c1cc(Nc2ccc(Oc3ccccc3)cc2)nc(Nc2ccccc2)n1.
What is the InChIKey of 4-N,4-N-dimethyl-6-N-(4-phenoxyphenyl)-2-N-phenylpyrimidine-2,4,6-triamine?
The InChIKey is WAODFMLYZOWDJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O/c1-29(2)23-17-22(27-24(28-23)26-18-9-5-3-6-10-18)25-19-13-15-21(16-14-19)30-20-11-7-4-8-12-20/h3-17H,1-2H3,(H2,25,26,27,28).
What are the key properties of 4-N,4-N-dimethyl-6-N-(4-phenoxyphenyl)-2-N-phenylpyrimidine-2,4,6-triamine?
4-N,4-N-dimethyl-6-N-(4-phenoxyphenyl)-2-N-phenylpyrimidine-2,4,6-triamine has a molecular weight of 397.48 g/mol, XLogP of 5.82, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-dimethyl-6-N-(4-phenoxyphenyl)-2-N-phenylpyrimidine-2,4,6-triamine is sourced from PubChem (CID 90770232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).