2-N-(2-methoxy-4-morpholin-4-ylphenyl)-5-methyl-4-N-(2-phenylpropan-2-yl)pyridine-2,4-diamine

C26H32N4O2 — CID 58155079

IUPAC2-N-(2-methoxy-4-morpholin-4-ylphenyl)-5-methyl-4-N-(2-phenylpropan-2-yl)pyridine-2,4-diamine
SMILESCOc1cc(N2CCOCC2)ccc1Nc1cc(NC(C)(C)c2ccccc2)c(C)cn1
InChIInChI=1S/C26H32N4O2/c1-19-18-27-25(17-23(19)29-26(2,3)20-8-6-5-7-9-20)28-22-11-10-21(16-24(22)31-4)30-12-14-32-15-13-30/h5-11,16-18H,12-15H2,1-4H3,(H2,27,28,29)
InChIKeyDNXBGYSYLHBFTF-UHFFFAOYSA-N
MW432.57 g/mol
LogP5.33
Rot. Bonds7

About 2-N-(2-methoxy-4-morpholin-4-ylphenyl)-5-methyl-4-N-(2-phenylpropan-2-yl)pyridine-2,4-diamine

2-N-(2-methoxy-4-morpholin-4-ylphenyl)-5-methyl-4-N-(2-phenylpropan-2-yl)pyridine-2,4-diamine (PubChem CID 58155079) has the molecular formula C26H32N4O2 and a molecular weight of 432.57 g/mol. Its IUPAC name is 2-N-(2-methoxy-4-morpholin-4-ylphenyl)-5-methyl-4-N-(2-phenylpropan-2-yl)pyridine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2-methoxy-4-morpholin-4-ylphenyl)-5-methyl-4-N-(2-phenylpropan-2-yl)pyridine-2,4-diamine
PubChem CID58155079
Molecular FormulaC26H32N4O2
Molecular Weight432.57 g/mol
Exact Mass432.25
IUPAC Name2-N-(2-methoxy-4-morpholin-4-ylphenyl)-5-methyl-4-N-(2-phenylpropan-2-yl)pyridine-2,4-diamine
SMILESCOc1cc(N2CCOCC2)ccc1Nc1cc(NC(C)(C)c2ccccc2)c(C)cn1
InChIInChI=1S/C26H32N4O2/c1-19-18-27-25(17-23(19)29-26(2,3)20-8-6-5-7-9-20)28-22-11-10-21(16-24(22)31-4)30-12-14-32-15-13-30/h5-11,16-18H,12-15H2,1-4H3,(H2,27,28,29)
InChIKeyDNXBGYSYLHBFTF-UHFFFAOYSA-N
XLogP5.33
TPSA58.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.57
LogP ≤ 55.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-N-(2-methoxy-4-morpholin-4-ylphenyl)-5-methyl-4-N-(2-phenylpropan-2-yl)pyridine-2,4-diamine with MolForge

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Related Compounds

2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-4-pyridinyl]amino]-N-methylbenzamide;2,2,2-trifluoroacetic acid
CID 117076920
2-[[5-bromo-2-(2-methoxy-4-morpholin-4-ylanilino)-4-pyridinyl]amino]-N,N-dimethylbenzenesulfonamide
CID 142677202
N-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]phenyl]acetamide
CID 66957852
2-[[[5-chloro-2-(2-methoxy-4-morpholin-4-ylanilino)-4-pyridinyl]amino]methyl]benzamide
CID 69090152
2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;2,2,2-trifluoroacetic acid
CID 131865374
5-fluoro-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;1-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-4-pyridinyl]amino]phenyl]ethanone
CID 157103226
2-[[5-chloro-2-(2-methoxy-4-morpholin-4-ylanilino)-4-pyridinyl]amino]-N-[2-(methylcarbamoyl)phenyl]benzamide
CID 25072546
7-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-2-methyl-3H-isoindol-1-one;2,2,2-trifluoroacetic acid
CID 117074192
2-chloro-N-pyridin-2-yl-5-(trifluoromethyl)pyridin-4-amine;2-methoxy-5-morpholin-4-ylaniline;bis(2-N-(2-methyl-5-morpholin-4-ylphenyl)-4-N-pyridin-2-yl-5-(trifluoromethyl)pyridine-2,4-diamine)
CID 159187874
N-(2-methoxyphenyl)-6-morpholin-4-ylpyrimidin-4-amine
CID 112857120
N-(2-methoxy-4-morpholin-4-ylphenyl)-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine
CID 58865823
3-N-(2-methoxy-4-morpholin-4-ylphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine
CID 58976216

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-methoxy-4-morpholin-4-ylphenyl)-5-methyl-4-N-(2-phenylpropan-2-yl)pyridine-2,4-diamine?
The IUPAC name of 2-N-(2-methoxy-4-morpholin-4-ylphenyl)-5-methyl-4-N-(2-phenylpropan-2-yl)pyridine-2,4-diamine (CID 58155079) is 2-N-(2-methoxy-4-morpholin-4-ylphenyl)-5-methyl-4-N-(2-phenylpropan-2-yl)pyridine-2,4-diamine.
What is the SMILES notation for 2-N-(2-methoxy-4-morpholin-4-ylphenyl)-5-methyl-4-N-(2-phenylpropan-2-yl)pyridine-2,4-diamine?
The canonical SMILES for 2-N-(2-methoxy-4-morpholin-4-ylphenyl)-5-methyl-4-N-(2-phenylpropan-2-yl)pyridine-2,4-diamine is COc1cc(N2CCOCC2)ccc1Nc1cc(NC(C)(C)c2ccccc2)c(C)cn1.
What is the InChIKey of 2-N-(2-methoxy-4-morpholin-4-ylphenyl)-5-methyl-4-N-(2-phenylpropan-2-yl)pyridine-2,4-diamine?
The InChIKey is DNXBGYSYLHBFTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O2/c1-19-18-27-25(17-23(19)29-26(2,3)20-8-6-5-7-9-20)28-22-11-10-21(16-24(22)31-4)30-12-14-32-15-13-30/h5-11,16-18H,12-15H2,1-4H3,(H2,27,28,29).
What are the key properties of 2-N-(2-methoxy-4-morpholin-4-ylphenyl)-5-methyl-4-N-(2-phenylpropan-2-yl)pyridine-2,4-diamine?
2-N-(2-methoxy-4-morpholin-4-ylphenyl)-5-methyl-4-N-(2-phenylpropan-2-yl)pyridine-2,4-diamine has a molecular weight of 432.57 g/mol, XLogP of 5.33, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-methoxy-4-morpholin-4-ylphenyl)-5-methyl-4-N-(2-phenylpropan-2-yl)pyridine-2,4-diamine is sourced from PubChem (CID 58155079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).