4-[4-[2-(4-methylphenyl)imidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine

C21H25N7O2 — CID 174424268

IUPAC4-[4-[2-(4-methylphenyl)imidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine
SMILESCc1ccc(-c2nccn2-c2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C21H25N7O2/c1-16-2-4-17(5-3-16)18-22-6-7-28(18)21-24-19(26-8-12-29-13-9-26)23-20(25-21)27-10-14-30-15-11-27/h2-7H,8-15H2,1H3
InChIKeyQDQKHSOHZHKMEY-UHFFFAOYSA-N
MW407.48 g/mol
LogP1.71
Rot. Bonds4

About 4-[4-[2-(4-methylphenyl)imidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine

4-[4-[2-(4-methylphenyl)imidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine (PubChem CID 174424268) has the molecular formula C21H25N7O2 and a molecular weight of 407.48 g/mol. Its IUPAC name is 4-[4-[2-(4-methylphenyl)imidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-[2-(4-methylphenyl)imidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine
PubChem CID174424268
Molecular FormulaC21H25N7O2
Molecular Weight407.48 g/mol
Exact Mass407.21
IUPAC Name4-[4-[2-(4-methylphenyl)imidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine
SMILESCc1ccc(-c2nccn2-c2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C21H25N7O2/c1-16-2-4-17(5-3-16)18-22-6-7-28(18)21-24-19(26-8-12-29-13-9-26)23-20(25-21)27-10-14-30-15-11-27/h2-7H,8-15H2,1H3
InChIKeyQDQKHSOHZHKMEY-UHFFFAOYSA-N
XLogP1.71
TPSA81.43 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.48
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 4-[4-[2-(4-methylphenyl)imidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine with MolForge

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Related Compounds

1-[4-[4-(2-methylimidazol-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]phenyl]-3-pyrimidin-5-ylurea
CID 67439593
4-[4-(difluoromethyl)-6-(4-methylphenyl)pyrimidin-2-yl]morpholine
CID 2992799
6-(4-methylphenyl)-2-morpholin-4-ylpyrimidine-4-carbonitrile
CID 39380254
16-(4-methylphenyl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 71419396
4-[5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-2-pyridinyl]morpholine
CID 58507795
4-[5-phenyl-2-(2-phenylimidazol-1-yl)-3-propan-2-ylphenyl]morpholine
CID 140866296
2-N-(4-methylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 80751542
4-(6-methylquinazolin-2-yl)morpholine
CID 146428087
4-(4,6-dimethyl-1,3,5-triazin-2-yl)morpholine;ethane
CID 159951324
4-[4-chloro-6-(4-methylphenyl)sulfanyl-1,3,5-triazin-2-yl]morpholine
CID 62865788
4-[4-(4-fluoro-2-pyridinyl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine
CID 58507943
4-[4-(2-methylpyrazol-3-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine
CID 58508286

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(4-methylphenyl)imidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine?
The IUPAC name of 4-[4-[2-(4-methylphenyl)imidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine (CID 174424268) is 4-[4-[2-(4-methylphenyl)imidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine.
What is the SMILES notation for 4-[4-[2-(4-methylphenyl)imidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine?
The canonical SMILES for 4-[4-[2-(4-methylphenyl)imidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine is Cc1ccc(-c2nccn2-c2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1.
What is the InChIKey of 4-[4-[2-(4-methylphenyl)imidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine?
The InChIKey is QDQKHSOHZHKMEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N7O2/c1-16-2-4-17(5-3-16)18-22-6-7-28(18)21-24-19(26-8-12-29-13-9-26)23-20(25-21)27-10-14-30-15-11-27/h2-7H,8-15H2,1H3.
What are the key properties of 4-[4-[2-(4-methylphenyl)imidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine?
4-[4-[2-(4-methylphenyl)imidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine has a molecular weight of 407.48 g/mol, XLogP of 1.71, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(4-methylphenyl)imidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine is sourced from PubChem (CID 174424268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).