6-[[(2S,6R)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine

C17H25N6O+ — CID 8686821

IUPAC6-[[(2S,6R)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine
SMILESCc1ccccc1Nc1nc(N)nc(C[NH+]2C[C@@H](C)O[C@@H](C)C2)n1
InChIInChI=1S/C17H24N6O/c1-11-6-4-5-7-14(11)19-17-21-15(20-16(18)22-17)10-23-8-12(2)24-13(3)9-23/h4-7,12-13H,8-10H2,1-3H3,(H3,18,19,20,21,22)/p+1/t12-,13+
InChIKeyRGONASRXTBFAOE-BETUJISGSA-O
MW329.43 g/mol
LogP0.70
Rot. Bonds4

About 6-[[(2S,6R)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine

6-[[(2S,6R)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine (PubChem CID 8686821) has the molecular formula C17H25N6O+ and a molecular weight of 329.43 g/mol. Its IUPAC name is 6-[[(2S,6R)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[[(2S,6R)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine
PubChem CID8686821
Molecular FormulaC17H25N6O+
Molecular Weight329.43 g/mol
Exact Mass329.21
IUPAC Name6-[[(2S,6R)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine
SMILESCc1ccccc1Nc1nc(N)nc(C[NH+]2C[C@@H](C)O[C@@H](C)C2)n1
InChIInChI=1S/C17H24N6O/c1-11-6-4-5-7-14(11)19-17-21-15(20-16(18)22-17)10-23-8-12(2)24-13(3)9-23/h4-7,12-13H,8-10H2,1-3H3,(H3,18,19,20,21,22)/p+1/t12-,13+
InChIKeyRGONASRXTBFAOE-BETUJISGSA-O
XLogP0.70
TPSA90.39 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 6-[[(2S,6R)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine with MolForge

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Launch Full Analysis

Related Compounds

6-[(3,5-dimethylpiperidin-1-ium-1-yl)methyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 5082356
[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl-methyl-[(5-methylfuran-2-yl)methyl]azanium
CID 8592939
[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 2681534
6-[(N-methylanilino)methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 2608348
2-N-(2-methylphenyl)-6-[[5-(pyrrolidin-1-ium-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine
CID 8849942
2-N-(2-methoxyphenyl)-6-(pyrrolidin-1-ium-1-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 7230327
6-[(benzhydrylamino)methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 4825794
6-chloro-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 616630
6-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 17466513
2-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl]isoindole-1,3-dione
CID 7662914
[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl-[(4-methylphenyl)methyl]azanium
CID 2455288
2-N-(2,3-dimethylphenyl)-6-[(4-methylpiperidin-1-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 893547

Frequently Asked Questions

What is the IUPAC name of 6-[[(2S,6R)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[[(2S,6R)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine (CID 8686821) is 6-[[(2S,6R)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[[(2S,6R)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[[(2S,6R)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine is Cc1ccccc1Nc1nc(N)nc(C[NH+]2C[C@@H](C)O[C@@H](C)C2)n1.
What is the InChIKey of 6-[[(2S,6R)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is RGONASRXTBFAOE-BETUJISGSA-O. The full InChI is InChI=1S/C17H24N6O/c1-11-6-4-5-7-14(11)19-17-21-15(20-16(18)22-17)10-23-8-12(2)24-13(3)9-23/h4-7,12-13H,8-10H2,1-3H3,(H3,18,19,20,21,22)/p+1/t12-,13+.
What are the key properties of 6-[[(2S,6R)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine?
6-[[(2S,6R)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 329.43 g/mol, XLogP of 0.70, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(2S,6R)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 8686821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).