4-(4-benzyl-6-phenyl-1,3,5-triazin-2-yl)morpholine

C20H20N4O — CID 46854232

IUPAC4-(4-benzyl-6-phenyl-1,3,5-triazin-2-yl)morpholine
SMILESc1ccc(Cc2nc(-c3ccccc3)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C20H20N4O/c1-3-7-16(8-4-1)15-18-21-19(17-9-5-2-6-10-17)23-20(22-18)24-11-13-25-14-12-24/h1-10H,11-15H2
InChIKeyWQOXCQTVUJEBHJ-UHFFFAOYSA-N
MW332.41 g/mol
LogP2.97
Rot. Bonds4

About 4-(4-benzyl-6-phenyl-1,3,5-triazin-2-yl)morpholine

4-(4-benzyl-6-phenyl-1,3,5-triazin-2-yl)morpholine (PubChem CID 46854232) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is 4-(4-benzyl-6-phenyl-1,3,5-triazin-2-yl)morpholine.

Molecular Properties

Compound Name4-(4-benzyl-6-phenyl-1,3,5-triazin-2-yl)morpholine
PubChem CID46854232
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC Name4-(4-benzyl-6-phenyl-1,3,5-triazin-2-yl)morpholine
SMILESc1ccc(Cc2nc(-c3ccccc3)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C20H20N4O/c1-3-7-16(8-4-1)15-18-21-19(17-9-5-2-6-10-17)23-20(22-18)24-11-13-25-14-12-24/h1-10H,11-15H2
InChIKeyWQOXCQTVUJEBHJ-UHFFFAOYSA-N
XLogP2.97
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-ethyl-6-phenyl-1,3,5-triazin-2-yl)morpholine
CID 141367198
4-(4-benzyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)morpholine
CID 161423330
4-(4-benzylphenyl)morpholine
CID 11514364
N-benzyl-2-morpholin-4-yl-6-phenylpyrimidin-4-amine
CID 112935485
5-[[4-[[4-[[4-[(3-carboxyphenyl)diazenyl]phenyl]methyl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]phenyl]diazenyl]benzene-1,3-dicarboxylic acid
CID 158487848
1-[4-(4-butyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)phenyl]-3-phenylurea
CID 141367165
4-[4-(4-benzylpiperazin-1-yl)-6-chloro-1,3,5-triazin-2-yl]morpholine
CID 10619455
N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]-4-phenylbenzamide
CID 122254981
2-[4-(benzylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-1-phenylethanone
CID 4567260
4-[5-(2-phenylethyl)pyrimidin-2-yl]morpholine
CID 138973898
4-(2,4-dimorpholin-4-yl-6-phenylpyrimidin-5-yl)morpholine
CID 12624037
N-(5-benzyl-3-phenyl-1,2,4-triazin-6-yl)-N-ethylmorpholin-4-amine
CID 54377972

Frequently Asked Questions

What is the IUPAC name of 4-(4-benzyl-6-phenyl-1,3,5-triazin-2-yl)morpholine?
The IUPAC name of 4-(4-benzyl-6-phenyl-1,3,5-triazin-2-yl)morpholine (CID 46854232) is 4-(4-benzyl-6-phenyl-1,3,5-triazin-2-yl)morpholine.
What is the SMILES notation for 4-(4-benzyl-6-phenyl-1,3,5-triazin-2-yl)morpholine?
The canonical SMILES for 4-(4-benzyl-6-phenyl-1,3,5-triazin-2-yl)morpholine is c1ccc(Cc2nc(-c3ccccc3)nc(N3CCOCC3)n2)cc1.
What is the InChIKey of 4-(4-benzyl-6-phenyl-1,3,5-triazin-2-yl)morpholine?
The InChIKey is WQOXCQTVUJEBHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c1-3-7-16(8-4-1)15-18-21-19(17-9-5-2-6-10-17)23-20(22-18)24-11-13-25-14-12-24/h1-10H,11-15H2.
What are the key properties of 4-(4-benzyl-6-phenyl-1,3,5-triazin-2-yl)morpholine?
4-(4-benzyl-6-phenyl-1,3,5-triazin-2-yl)morpholine has a molecular weight of 332.41 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzyl-6-phenyl-1,3,5-triazin-2-yl)morpholine is sourced from PubChem (CID 46854232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).