4-N-(4-methylphenyl)-6-morpholin-4-yl-2-N-(pyridin-4-ylmethylideneamino)-1,3,5-triazine-2,4-diamine

C20H22N8O — CID 153389162

IUPAC4-N-(4-methylphenyl)-6-morpholin-4-yl-2-N-(pyridin-4-ylmethylideneamino)-1,3,5-triazine-2,4-diamine
SMILESCc1ccc(Nc2nc(NN=Cc3ccncc3)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C20H22N8O/c1-15-2-4-17(5-3-15)23-18-24-19(27-22-14-16-6-8-21-9-7-16)26-20(25-18)28-10-12-29-13-11-28/h2-9,14H,10-13H2,1H3,(H2,23,24,25,26,27)
InChIKeyMBXHKQLAFRWECC-UHFFFAOYSA-N
MW390.45 g/mol
LogP2.60
Rot. Bonds6

About 4-N-(4-methylphenyl)-6-morpholin-4-yl-2-N-(pyridin-4-ylmethylideneamino)-1,3,5-triazine-2,4-diamine

4-N-(4-methylphenyl)-6-morpholin-4-yl-2-N-(pyridin-4-ylmethylideneamino)-1,3,5-triazine-2,4-diamine (PubChem CID 153389162) has the molecular formula C20H22N8O and a molecular weight of 390.45 g/mol. Its IUPAC name is 4-N-(4-methylphenyl)-6-morpholin-4-yl-2-N-(pyridin-4-ylmethylideneamino)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-(4-methylphenyl)-6-morpholin-4-yl-2-N-(pyridin-4-ylmethylideneamino)-1,3,5-triazine-2,4-diamine
PubChem CID153389162
Molecular FormulaC20H22N8O
Molecular Weight390.45 g/mol
Exact Mass390.19
IUPAC Name4-N-(4-methylphenyl)-6-morpholin-4-yl-2-N-(pyridin-4-ylmethylideneamino)-1,3,5-triazine-2,4-diamine
SMILESCc1ccc(Nc2nc(NN=Cc3ccncc3)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C20H22N8O/c1-15-2-4-17(5-3-15)23-18-24-19(27-22-14-16-6-8-21-9-7-16)26-20(25-18)28-10-12-29-13-11-28/h2-9,14H,10-13H2,1H3,(H2,23,24,25,26,27)
InChIKeyMBXHKQLAFRWECC-UHFFFAOYSA-N
XLogP2.60
TPSA100.45 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.45
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-morpholin-4-yl-4-N-naphthalen-1-yl-2-N-[(E)-pyridin-4-ylmethylideneamino]-1,3,5-triazine-2,4-diamine
CID 11835920
4-N-phenyl-6-piperidin-1-yl-2-N-(pyridin-4-ylmethylideneamino)-1,3,5-triazine-2,4-diamine
CID 5071726
4-[[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenol
CID 3667808
2-N-[(E)-(4-fluorophenyl)methylideneamino]-4-N-(4-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 171978818
4-N-(4-fluorophenyl)-2-N-[(4-methoxyphenyl)methylideneamino]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine;hydrochloride
CID 91962052
4-iodo-2-[(Z)-[[4-(4-methylanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol
CID 136899950
4-[(E)-[[4-(4-fluoroanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol;hydrochloride
CID 136611933
4-N-(4-methylphenyl)-2-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 171981603
2-N-[(Z)-1H-indol-3-ylmethylideneamino]-4-N-(4-methylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 136843437
2-N-(4-methylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 80751542
N-(benzylideneamino)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
CID 2849563
2-N-(4-methoxyphenyl)-4-N-(4-methylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine;hydrochloride
CID 18580364

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-methylphenyl)-6-morpholin-4-yl-2-N-(pyridin-4-ylmethylideneamino)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-(4-methylphenyl)-6-morpholin-4-yl-2-N-(pyridin-4-ylmethylideneamino)-1,3,5-triazine-2,4-diamine (CID 153389162) is 4-N-(4-methylphenyl)-6-morpholin-4-yl-2-N-(pyridin-4-ylmethylideneamino)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-(4-methylphenyl)-6-morpholin-4-yl-2-N-(pyridin-4-ylmethylideneamino)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-(4-methylphenyl)-6-morpholin-4-yl-2-N-(pyridin-4-ylmethylideneamino)-1,3,5-triazine-2,4-diamine is Cc1ccc(Nc2nc(NN=Cc3ccncc3)nc(N3CCOCC3)n2)cc1.
What is the InChIKey of 4-N-(4-methylphenyl)-6-morpholin-4-yl-2-N-(pyridin-4-ylmethylideneamino)-1,3,5-triazine-2,4-diamine?
The InChIKey is MBXHKQLAFRWECC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N8O/c1-15-2-4-17(5-3-15)23-18-24-19(27-22-14-16-6-8-21-9-7-16)26-20(25-18)28-10-12-29-13-11-28/h2-9,14H,10-13H2,1H3,(H2,23,24,25,26,27).
What are the key properties of 4-N-(4-methylphenyl)-6-morpholin-4-yl-2-N-(pyridin-4-ylmethylideneamino)-1,3,5-triazine-2,4-diamine?
4-N-(4-methylphenyl)-6-morpholin-4-yl-2-N-(pyridin-4-ylmethylideneamino)-1,3,5-triazine-2,4-diamine has a molecular weight of 390.45 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-methylphenyl)-6-morpholin-4-yl-2-N-(pyridin-4-ylmethylideneamino)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 153389162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).