6-[(3,5-dimethylpiperidin-1-ium-1-yl)methyl]-2-N-(4-ethoxyphenyl)-1,3,5-triazine-2,4-diamine

C19H29N6O+ — CID 5188113

IUPAC6-[(3,5-dimethylpiperidin-1-ium-1-yl)methyl]-2-N-(4-ethoxyphenyl)-1,3,5-triazine-2,4-diamine
SMILESCCOc1ccc(Nc2nc(N)nc(C[NH+]3CC(C)CC(C)C3)n2)cc1
InChIInChI=1S/C19H28N6O/c1-4-26-16-7-5-15(6-8-16)21-19-23-17(22-18(20)24-19)12-25-10-13(2)9-14(3)11-25/h5-8,13-14H,4,9-12H2,1-3H3,(H3,20,21,22,23,24)/p+1
InChIKeyCAWKYUWBKWMRQD-UHFFFAOYSA-O
MW357.48 g/mol
LogP1.66
Rot. Bonds6

About 6-[(3,5-dimethylpiperidin-1-ium-1-yl)methyl]-2-N-(4-ethoxyphenyl)-1,3,5-triazine-2,4-diamine

6-[(3,5-dimethylpiperidin-1-ium-1-yl)methyl]-2-N-(4-ethoxyphenyl)-1,3,5-triazine-2,4-diamine (PubChem CID 5188113) has the molecular formula C19H29N6O+ and a molecular weight of 357.48 g/mol. Its IUPAC name is 6-[(3,5-dimethylpiperidin-1-ium-1-yl)methyl]-2-N-(4-ethoxyphenyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[(3,5-dimethylpiperidin-1-ium-1-yl)methyl]-2-N-(4-ethoxyphenyl)-1,3,5-triazine-2,4-diamine
PubChem CID5188113
Molecular FormulaC19H29N6O+
Molecular Weight357.48 g/mol
Exact Mass357.24
IUPAC Name6-[(3,5-dimethylpiperidin-1-ium-1-yl)methyl]-2-N-(4-ethoxyphenyl)-1,3,5-triazine-2,4-diamine
SMILESCCOc1ccc(Nc2nc(N)nc(C[NH+]3CC(C)CC(C)C3)n2)cc1
InChIInChI=1S/C19H28N6O/c1-4-26-16-7-5-15(6-8-16)21-19-23-17(22-18(20)24-19)12-25-10-13(2)9-14(3)11-25/h5-8,13-14H,4,9-12H2,1-3H3,(H3,20,21,22,23,24)/p+1
InChIKeyCAWKYUWBKWMRQD-UHFFFAOYSA-O
XLogP1.66
TPSA90.39 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 6-[(3,5-dimethylpiperidin-1-ium-1-yl)methyl]-2-N-(4-ethoxyphenyl)-1,3,5-triazine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

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
6-[(3,5-dimethylpiperidin-1-yl)methyl]-2-N-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 2952184
ethyl 4-[[4-amino-6-(4-chloroanilino)-1,3,5-triazin-2-yl]methyl]piperazin-4-ium-1-carboxylate
CID 7220126
(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-(4-ethoxyphenoxy)acetate
CID 7593801
4-N,6-N-bis(4-ethoxyphenyl)pyrimidine-2,4,6-triamine
CID 15556985
6-(chloromethyl)-2-N-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 931904
6-[(4-methoxyphenoxy)methyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 937121
2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-4-N-(4-ethoxyphenyl)-5-nitropyrimidine-4,6-diamine
CID 7463225
6-[[(2S,6R)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 8686821
(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 4-(4-ethoxyphenyl)-4-oxobutanoate
CID 28568700
1-N,4-N-bis(4-ethoxyphenyl)benzene-1,4-diamine
CID 139791472
6-ethyl-2-N-(4-fluorophenyl)-1,3,5-triazine-2,4-diamine
CID 142393995

Frequently Asked Questions

What is the IUPAC name of 6-[(3,5-dimethylpiperidin-1-ium-1-yl)methyl]-2-N-(4-ethoxyphenyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[(3,5-dimethylpiperidin-1-ium-1-yl)methyl]-2-N-(4-ethoxyphenyl)-1,3,5-triazine-2,4-diamine (CID 5188113) is 6-[(3,5-dimethylpiperidin-1-ium-1-yl)methyl]-2-N-(4-ethoxyphenyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[(3,5-dimethylpiperidin-1-ium-1-yl)methyl]-2-N-(4-ethoxyphenyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[(3,5-dimethylpiperidin-1-ium-1-yl)methyl]-2-N-(4-ethoxyphenyl)-1,3,5-triazine-2,4-diamine is CCOc1ccc(Nc2nc(N)nc(C[NH+]3CC(C)CC(C)C3)n2)cc1.
What is the InChIKey of 6-[(3,5-dimethylpiperidin-1-ium-1-yl)methyl]-2-N-(4-ethoxyphenyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is CAWKYUWBKWMRQD-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H28N6O/c1-4-26-16-7-5-15(6-8-16)21-19-23-17(22-18(20)24-19)12-25-10-13(2)9-14(3)11-25/h5-8,13-14H,4,9-12H2,1-3H3,(H3,20,21,22,23,24)/p+1.
What are the key properties of 6-[(3,5-dimethylpiperidin-1-ium-1-yl)methyl]-2-N-(4-ethoxyphenyl)-1,3,5-triazine-2,4-diamine?
6-[(3,5-dimethylpiperidin-1-ium-1-yl)methyl]-2-N-(4-ethoxyphenyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 357.48 g/mol, XLogP of 1.66, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3,5-dimethylpiperidin-1-ium-1-yl)methyl]-2-N-(4-ethoxyphenyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 5188113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).