2-N-(2-ethylphenyl)-6-[[4-(2-morpholin-4-ylethyl)piperidin-1-yl]methyl]-1,3,5-triazine-2,4-diamine

C23H35N7O — CID 56526132

IUPAC2-N-(2-ethylphenyl)-6-[[4-(2-morpholin-4-ylethyl)piperidin-1-yl]methyl]-1,3,5-triazine-2,4-diamine
SMILESCCc1ccccc1Nc1nc(N)nc(CN2CCC(CCN3CCOCC3)CC2)n1
InChIInChI=1S/C23H35N7O/c1-2-19-5-3-4-6-20(19)25-23-27-21(26-22(24)28-23)17-30-11-8-18(9-12-30)7-10-29-13-15-31-16-14-29/h3-6,18H,2,7-17H2,1H3,(H3,24,25,26,27,28)
InChIKeyUHUYFECNZHRIKN-UHFFFAOYSA-N
MW425.58 g/mol
LogP2.69
Rot. Bonds8

About 2-N-(2-ethylphenyl)-6-[[4-(2-morpholin-4-ylethyl)piperidin-1-yl]methyl]-1,3,5-triazine-2,4-diamine

2-N-(2-ethylphenyl)-6-[[4-(2-morpholin-4-ylethyl)piperidin-1-yl]methyl]-1,3,5-triazine-2,4-diamine (PubChem CID 56526132) has the molecular formula C23H35N7O and a molecular weight of 425.58 g/mol. Its IUPAC name is 2-N-(2-ethylphenyl)-6-[[4-(2-morpholin-4-ylethyl)piperidin-1-yl]methyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2-ethylphenyl)-6-[[4-(2-morpholin-4-ylethyl)piperidin-1-yl]methyl]-1,3,5-triazine-2,4-diamine
PubChem CID56526132
Molecular FormulaC23H35N7O
Molecular Weight425.58 g/mol
Exact Mass425.29
IUPAC Name2-N-(2-ethylphenyl)-6-[[4-(2-morpholin-4-ylethyl)piperidin-1-yl]methyl]-1,3,5-triazine-2,4-diamine
SMILESCCc1ccccc1Nc1nc(N)nc(CN2CCC(CCN3CCOCC3)CC2)n1
InChIInChI=1S/C23H35N7O/c1-2-19-5-3-4-6-20(19)25-23-27-21(26-22(24)28-23)17-30-11-8-18(9-12-30)7-10-29-13-15-31-16-14-29/h3-6,18H,2,7-17H2,1H3,(H3,24,25,26,27,28)
InChIKeyUHUYFECNZHRIKN-UHFFFAOYSA-N
XLogP2.69
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.58
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-N-(2-ethylphenyl)-6-[[4-(2-morpholin-4-ylethyl)piperidin-1-yl]methyl]-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

1-[[4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide
CID 25470934
6-[(4-benzylpiperidin-1-yl)methyl]-2-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 1382129
2-N,4-N-bis(2-ethylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 16955718
2-N-(2-ethylphenyl)-6-[(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 42885236
6-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-2-N-(2-ethylphenyl)-1,3,5-triazine-2,4-diamine
CID 40943048
6-(cyclopentylsulfanylmethyl)-2-N-(2-ethylphenyl)-1,3,5-triazine-2,4-diamine
CID 8763671
2-N-(2,3-dimethylphenyl)-6-[(4-methylpiperidin-1-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 893547
6-[(4-ethylpiperazin-1-yl)methyl]-2-N-naphthalen-1-yl-1,3,5-triazine-2,4-diamine
CID 16584809
[4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl cyclopropanecarboxylate
CID 7782044
6-[[1-[[4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl]pyrrolidin-1-ium-1-yl]methyl]-2-N-(2-ethylphenyl)-1,3,5-triazine-2,4-diamine
CID 25375679
(5R)-5-[1-[[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione
CID 95786035
2-N-(2-ethylphenyl)-4-N-(4-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 42477739

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-ethylphenyl)-6-[[4-(2-morpholin-4-ylethyl)piperidin-1-yl]methyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(2-ethylphenyl)-6-[[4-(2-morpholin-4-ylethyl)piperidin-1-yl]methyl]-1,3,5-triazine-2,4-diamine (CID 56526132) is 2-N-(2-ethylphenyl)-6-[[4-(2-morpholin-4-ylethyl)piperidin-1-yl]methyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(2-ethylphenyl)-6-[[4-(2-morpholin-4-ylethyl)piperidin-1-yl]methyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(2-ethylphenyl)-6-[[4-(2-morpholin-4-ylethyl)piperidin-1-yl]methyl]-1,3,5-triazine-2,4-diamine is CCc1ccccc1Nc1nc(N)nc(CN2CCC(CCN3CCOCC3)CC2)n1.
What is the InChIKey of 2-N-(2-ethylphenyl)-6-[[4-(2-morpholin-4-ylethyl)piperidin-1-yl]methyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is UHUYFECNZHRIKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N7O/c1-2-19-5-3-4-6-20(19)25-23-27-21(26-22(24)28-23)17-30-11-8-18(9-12-30)7-10-29-13-15-31-16-14-29/h3-6,18H,2,7-17H2,1H3,(H3,24,25,26,27,28).
What are the key properties of 2-N-(2-ethylphenyl)-6-[[4-(2-morpholin-4-ylethyl)piperidin-1-yl]methyl]-1,3,5-triazine-2,4-diamine?
2-N-(2-ethylphenyl)-6-[[4-(2-morpholin-4-ylethyl)piperidin-1-yl]methyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 425.58 g/mol, XLogP of 2.69, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-ethylphenyl)-6-[[4-(2-morpholin-4-ylethyl)piperidin-1-yl]methyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 56526132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).