4-N,4-N-diethyl-2-N-[2-(4-methoxyphenyl)ethyl]-6-(4-morpholin-4-ylpiperidin-1-yl)-1,3,5-triazine-2,4-diamine

C25H39N7O2 — CID 117088808

IUPAC4-N,4-N-diethyl-2-N-[2-(4-methoxyphenyl)ethyl]-6-(4-morpholin-4-ylpiperidin-1-yl)-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)c1nc(NCCc2ccc(OC)cc2)nc(N2CCC(N3CCOCC3)CC2)n1
InChIInChI=1S/C25H39N7O2/c1-4-30(5-2)24-27-23(26-13-10-20-6-8-22(33-3)9-7-20)28-25(29-24)32-14-11-21(12-15-32)31-16-18-34-19-17-31/h6-9,21H,4-5,10-19H2,1-3H3,(H,26,27,28,29)
InChIKeyCRLPJELMJRFLFT-UHFFFAOYSA-N
MW469.63 g/mol
LogP2.68
Rot. Bonds10

About 4-N,4-N-diethyl-2-N-[2-(4-methoxyphenyl)ethyl]-6-(4-morpholin-4-ylpiperidin-1-yl)-1,3,5-triazine-2,4-diamine

4-N,4-N-diethyl-2-N-[2-(4-methoxyphenyl)ethyl]-6-(4-morpholin-4-ylpiperidin-1-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 117088808) has the molecular formula C25H39N7O2 and a molecular weight of 469.63 g/mol. Its IUPAC name is 4-N,4-N-diethyl-2-N-[2-(4-methoxyphenyl)ethyl]-6-(4-morpholin-4-ylpiperidin-1-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N,4-N-diethyl-2-N-[2-(4-methoxyphenyl)ethyl]-6-(4-morpholin-4-ylpiperidin-1-yl)-1,3,5-triazine-2,4-diamine
PubChem CID117088808
Molecular FormulaC25H39N7O2
Molecular Weight469.63 g/mol
Exact Mass469.32
IUPAC Name4-N,4-N-diethyl-2-N-[2-(4-methoxyphenyl)ethyl]-6-(4-morpholin-4-ylpiperidin-1-yl)-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)c1nc(NCCc2ccc(OC)cc2)nc(N2CCC(N3CCOCC3)CC2)n1
InChIInChI=1S/C25H39N7O2/c1-4-30(5-2)24-27-23(26-13-10-20-6-8-22(33-3)9-7-20)28-25(29-24)32-14-11-21(12-15-32)31-16-18-34-19-17-31/h6-9,21H,4-5,10-19H2,1-3H3,(H,26,27,28,29)
InChIKeyCRLPJELMJRFLFT-UHFFFAOYSA-N
XLogP2.68
TPSA78.88 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.63
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 4-N,4-N-diethyl-2-N-[2-(4-methoxyphenyl)ethyl]-6-(4-morpholin-4-ylpiperidin-1-yl)-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

2-(4-Cyclohexylphenoxy)-4,6-dimorpholin-4-yl-1,3,5-triazine
CID 3236599
4-N-(2-phenoxyethyl)-2-N-(1-phenylethyl)-1,3,5-triazine-2,4,6-triamine
CID 10154897
4-N-(2-phenoxyethyl)-2-N-[(1S)-1-phenylethyl]-1,3,5-triazine-2,4,6-triamine
CID 12088080
4-[(4,6-Di-4-morpholinyl-1,3,5-triazin-2-yl)oxy]benzonitrile
CID 1086559
N-[2-(3,4-dimethoxyphenyl)ethyl]-4,6-di-1-piperidinyl-1,3,5-triazin-2-amine
CID 1303751
2-N,2-N-dimethyl-6-N-(2-phenoxyethyl)-4-N-[(1S)-1-phenylethyl]-1,3,5-triazine-2,4,6-triamine
CID 44393052
6-fluoro-4-N-(2-phenoxyethyl)-2-N-[(1S)-1-phenylethyl]-1,3,5-triazine-2,4-diamine
CID 44393072
6-N-[3-(dimethylamino)propyl]-2-N,4-N-bis[2-(4-methoxyphenyl)ethyl]-1,3,5-triazine-2,4,6-triamine
CID 56647767
N-[2-(3,4-dimethoxyphenyl)ethyl]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
CID 1296537
4-N-(2-phenoxyethyl)-2-N-[(1R)-1-phenylethyl]-1,3,5-triazine-2,4,6-triamine
CID 44393089
methyl (2S)-2-amino-3-[4-[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)oxy]phenyl]propanoate
CID 156015060
methyl (2S)-2-amino-3-[4-[(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)oxy]phenyl]propanoate
CID 156020867

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-diethyl-2-N-[2-(4-methoxyphenyl)ethyl]-6-(4-morpholin-4-ylpiperidin-1-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N,4-N-diethyl-2-N-[2-(4-methoxyphenyl)ethyl]-6-(4-morpholin-4-ylpiperidin-1-yl)-1,3,5-triazine-2,4-diamine (CID 117088808) is 4-N,4-N-diethyl-2-N-[2-(4-methoxyphenyl)ethyl]-6-(4-morpholin-4-ylpiperidin-1-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N,4-N-diethyl-2-N-[2-(4-methoxyphenyl)ethyl]-6-(4-morpholin-4-ylpiperidin-1-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N,4-N-diethyl-2-N-[2-(4-methoxyphenyl)ethyl]-6-(4-morpholin-4-ylpiperidin-1-yl)-1,3,5-triazine-2,4-diamine is CCN(CC)c1nc(NCCc2ccc(OC)cc2)nc(N2CCC(N3CCOCC3)CC2)n1.
What is the InChIKey of 4-N,4-N-diethyl-2-N-[2-(4-methoxyphenyl)ethyl]-6-(4-morpholin-4-ylpiperidin-1-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is CRLPJELMJRFLFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H39N7O2/c1-4-30(5-2)24-27-23(26-13-10-20-6-8-22(33-3)9-7-20)28-25(29-24)32-14-11-21(12-15-32)31-16-18-34-19-17-31/h6-9,21H,4-5,10-19H2,1-3H3,(H,26,27,28,29).
What are the key properties of 4-N,4-N-diethyl-2-N-[2-(4-methoxyphenyl)ethyl]-6-(4-morpholin-4-ylpiperidin-1-yl)-1,3,5-triazine-2,4-diamine?
4-N,4-N-diethyl-2-N-[2-(4-methoxyphenyl)ethyl]-6-(4-morpholin-4-ylpiperidin-1-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 469.63 g/mol, XLogP of 2.68, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-diethyl-2-N-[2-(4-methoxyphenyl)ethyl]-6-(4-morpholin-4-ylpiperidin-1-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 117088808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).