4-N,4-N-diethyl-2-N-(2-morpholin-4-ylethyl)-6-(4-morpholin-4-ylpiperidin-1-yl)-1,3,5-triazine-2,4-diamine

C22H40N8O2 — CID 117094271

IUPAC4-N,4-N-diethyl-2-N-(2-morpholin-4-ylethyl)-6-(4-morpholin-4-ylpiperidin-1-yl)-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)c1nc(NCCN2CCOCC2)nc(N2CCC(N3CCOCC3)CC2)n1
InChIInChI=1S/C22H40N8O2/c1-3-28(4-2)21-24-20(23-7-10-27-11-15-31-16-12-27)25-22(26-21)30-8-5-19(6-9-30)29-13-17-32-18-14-29/h19H,3-18H2,1-2H3,(H,23,24,25,26)
InChIKeyXPKVBWUCUXLOMC-UHFFFAOYSA-N
MW448.62 g/mol
LogP0.76
Rot. Bonds9

About 4-N,4-N-diethyl-2-N-(2-morpholin-4-ylethyl)-6-(4-morpholin-4-ylpiperidin-1-yl)-1,3,5-triazine-2,4-diamine

4-N,4-N-diethyl-2-N-(2-morpholin-4-ylethyl)-6-(4-morpholin-4-ylpiperidin-1-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 117094271) has the molecular formula C22H40N8O2 and a molecular weight of 448.62 g/mol. Its IUPAC name is 4-N,4-N-diethyl-2-N-(2-morpholin-4-ylethyl)-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-morpholin-4-ylethyl)-6-(4-morpholin-4-ylpiperidin-1-yl)-1,3,5-triazine-2,4-diamine
PubChem CID117094271
Molecular FormulaC22H40N8O2
Molecular Weight448.62 g/mol
Exact Mass448.33
IUPAC Name4-N,4-N-diethyl-2-N-(2-morpholin-4-ylethyl)-6-(4-morpholin-4-ylpiperidin-1-yl)-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)c1nc(NCCN2CCOCC2)nc(N2CCC(N3CCOCC3)CC2)n1
InChIInChI=1S/C22H40N8O2/c1-3-28(4-2)21-24-20(23-7-10-27-11-15-31-16-12-27)25-22(26-21)30-8-5-19(6-9-30)29-13-17-32-18-14-29/h19H,3-18H2,1-2H3,(H,23,24,25,26)
InChIKeyXPKVBWUCUXLOMC-UHFFFAOYSA-N
XLogP0.76
TPSA82.12 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.62
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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

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Launch Full Analysis

Related Compounds

Poly[N,N'-bis(2,2,6,6-tetramethyl-4-piperidinyl)-1,6-hexanediamine-co-2,4-dichloro-6-morpholino-1,3,5-triazine]
CID 157869
N-cyclohexyl-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
CID 767098
(3R,5S)-1-[4-[(3S,5R)-3,5-diaminopiperidin-1-yl]-6-piperazin-1-yl-1,3,5-triazin-2-yl]piperidine-3,5-diamine
CID 44418615
2,4-Di(4-morpholinyl)-6-(1-piperazinyl)-1,3,5-triazine
CID 535673
N-ethyl-4-[4-[2-(ethylamino)morpholin-4-yl]-6-piperidin-1-yl-1,3,5-triazin-2-yl]morpholin-2-amine
CID 49862875
N-ethyl-4-[4-[3-(ethylamino)morpholin-4-yl]-6-piperidin-1-yl-1,3,5-triazin-2-yl]morpholin-3-amine
CID 49862876
N-cyclopentyl-4,6-dimorpholino-1,3,5-triazin-2-amine
CID 7589329
6-N-(2-methoxyethyl)-2-N,4-N-bis(1-morpholin-4-ylpropan-2-yl)-1,3,5-triazine-2,4,6-triamine
CID 71853074
2-[[4-[4-[(2S)-2-methylmorpholin-4-yl]piperidin-1-yl]-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]ethanol
CID 124848002
2-N-fluoro-4-N-[2-[[4-(fluoroamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]propyl]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 18343906
2-N-[1-[[4-(fluoroamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]propan-2-yl]-4-N-methyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 21028170
4,6-dimorpholin-4-yl-N-octadecyl-1,3,5-triazin-2-amine
CID 101603174

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-diethyl-2-N-(2-morpholin-4-ylethyl)-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-morpholin-4-ylethyl)-6-(4-morpholin-4-ylpiperidin-1-yl)-1,3,5-triazine-2,4-diamine (CID 117094271) is 4-N,4-N-diethyl-2-N-(2-morpholin-4-ylethyl)-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-morpholin-4-ylethyl)-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-morpholin-4-ylethyl)-6-(4-morpholin-4-ylpiperidin-1-yl)-1,3,5-triazine-2,4-diamine is CCN(CC)c1nc(NCCN2CCOCC2)nc(N2CCC(N3CCOCC3)CC2)n1.
What is the InChIKey of 4-N,4-N-diethyl-2-N-(2-morpholin-4-ylethyl)-6-(4-morpholin-4-ylpiperidin-1-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is XPKVBWUCUXLOMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40N8O2/c1-3-28(4-2)21-24-20(23-7-10-27-11-15-31-16-12-27)25-22(26-21)30-8-5-19(6-9-30)29-13-17-32-18-14-29/h19H,3-18H2,1-2H3,(H,23,24,25,26).
What are the key properties of 4-N,4-N-diethyl-2-N-(2-morpholin-4-ylethyl)-6-(4-morpholin-4-ylpiperidin-1-yl)-1,3,5-triazine-2,4-diamine?
4-N,4-N-diethyl-2-N-(2-morpholin-4-ylethyl)-6-(4-morpholin-4-ylpiperidin-1-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 448.62 g/mol, XLogP of 0.76, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-diethyl-2-N-(2-morpholin-4-ylethyl)-6-(4-morpholin-4-ylpiperidin-1-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 117094271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).