N-(4-methylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine

C18H24N6O2 — CID 1353607

IUPACN-(4-methylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
SMILESCc1ccc(Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C18H24N6O2/c1-14-2-4-15(5-3-14)19-16-20-17(23-6-10-25-11-7-23)22-18(21-16)24-8-12-26-13-9-24/h2-5H,6-13H2,1H3,(H,19,20,21,22)
InChIKeyQDFKTRJELCAXBD-UHFFFAOYSA-N
MW356.43 g/mol
LogP1.60
Rot. Bonds4

About N-(4-methylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine

N-(4-methylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine (PubChem CID 1353607) has the molecular formula C18H24N6O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is N-(4-methylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-(4-methylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
PubChem CID1353607
Molecular FormulaC18H24N6O2
Molecular Weight356.43 g/mol
Exact Mass356.20
IUPAC NameN-(4-methylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
SMILESCc1ccc(Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C18H24N6O2/c1-14-2-4-15(5-3-14)19-16-20-17(23-6-10-25-11-7-23)22-18(21-16)24-8-12-26-13-9-24/h2-5H,6-13H2,1H3,(H,19,20,21,22)
InChIKeyQDFKTRJELCAXBD-UHFFFAOYSA-N
XLogP1.60
TPSA75.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4,6-dimorpholino-N-(4-nitrophenyl)-1,3,5-triazin-2-amine
CID 2834965
4-(4,6-Dimorpholino-1,3,5-triazin-2-yl)aniline
CID 45379087
2-Anilino-4,6-DI(4-morpholinyl)-1,3,5-triazine
CID 749680
1,3,5-Triazine-2,4-diamine, 6-(4-morpholinyl)-n2,n4-diphenyl-
CID 780750
4-({4-[3-(Morpholin-4-Yl)propoxy]-6-[(2,4,6-Trimethylphenyl)amino]-1,3,5-Triazin-2-Yl}amino)benzonitrile
CID 72163596
4-[(4-{4-[(E)-2-cyanoethenyl]-2,6-dimethylanilino}-6-[3-(morpholin-4-yl)propoxy]-1,3,5-triazin-2-yl)amino]benzonitrile
CID 72163598
4-[[4-(2,6-Difluoro-4-methyl-anilino)-6-(3-morpholinopropoxy)-1,3,5-triazin-2-yl]amino]benzonitrile
CID 72163599
(4,6-Di-morpholin-4-yl-[1,3,5]triazin-2-yl)-m-tolyl-amine
CID 1117926
2-[[4-(3-Methylanilino)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]ethanol
CID 3146158
2-[[4-(4-Methylanilino)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]ethanol
CID 23648018
N-(2-Morpholin-4-yl-ethyl)-N',N''-diphenyl-[1,3,5]triazine-2,4,6-triamine
CID 1095342
Ethyl 2-{[4-chloro-6-(4-toluidino)-1,3,5-triazin-2-yl]amino}acetate
CID 4237348

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine?
The IUPAC name of N-(4-methylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine (CID 1353607) is N-(4-methylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-(4-methylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine?
The canonical SMILES for N-(4-methylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine is Cc1ccc(Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1.
What is the InChIKey of N-(4-methylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine?
The InChIKey is QDFKTRJELCAXBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O2/c1-14-2-4-15(5-3-14)19-16-20-17(23-6-10-25-11-7-23)22-18(21-16)24-8-12-26-13-9-24/h2-5H,6-13H2,1H3,(H,19,20,21,22).
What are the key properties of N-(4-methylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine?
N-(4-methylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine has a molecular weight of 356.43 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 1353607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).