6-[3-[4-amino-6-(2-morpholin-4-ylethylamino)-1,3,5-triazin-2-yl]cyclohexyl]-2-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine

C24H40N12O2 — CID 67613450

IUPAC6-[3-[4-amino-6-(2-morpholin-4-ylethylamino)-1,3,5-triazin-2-yl]cyclohexyl]-2-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(NCCN2CCOCC2)nc(C2CCCC(c3nc(N)nc(NCCN4CCOCC4)n3)C2)n1
InChIInChI=1S/C24H40N12O2/c25-21-29-19(31-23(33-21)27-4-6-35-8-12-37-13-9-35)17-2-1-3-18(16-17)20-30-22(26)34-24(32-20)28-5-7-36-10-14-38-15-11-36/h17-18H,1-16H2,(H3,25,27,29,31,33)(H3,26,28,30,32,34)
InChIKeySMDOIDNLFLHVIO-UHFFFAOYSA-N
MW528.67 g/mol
LogP0.15
Rot. Bonds10

About 6-[3-[4-amino-6-(2-morpholin-4-ylethylamino)-1,3,5-triazin-2-yl]cyclohexyl]-2-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine

6-[3-[4-amino-6-(2-morpholin-4-ylethylamino)-1,3,5-triazin-2-yl]cyclohexyl]-2-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 67613450) has the molecular formula C24H40N12O2 and a molecular weight of 528.67 g/mol. Its IUPAC name is 6-[3-[4-amino-6-(2-morpholin-4-ylethylamino)-1,3,5-triazin-2-yl]cyclohexyl]-2-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[3-[4-amino-6-(2-morpholin-4-ylethylamino)-1,3,5-triazin-2-yl]cyclohexyl]-2-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine
PubChem CID67613450
Molecular FormulaC24H40N12O2
Molecular Weight528.67 g/mol
Exact Mass528.34
IUPAC Name6-[3-[4-amino-6-(2-morpholin-4-ylethylamino)-1,3,5-triazin-2-yl]cyclohexyl]-2-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(NCCN2CCOCC2)nc(C2CCCC(c3nc(N)nc(NCCN4CCOCC4)n3)C2)n1
InChIInChI=1S/C24H40N12O2/c25-21-29-19(31-23(33-21)27-4-6-35-8-12-37-13-9-35)17-2-1-3-18(16-17)20-30-22(26)34-24(32-20)28-5-7-36-10-14-38-15-11-36/h17-18H,1-16H2,(H3,25,27,29,31,33)(H3,26,28,30,32,34)
InChIKeySMDOIDNLFLHVIO-UHFFFAOYSA-N
XLogP0.15
TPSA178.38 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.67
LogP ≤ 50.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Analyze 6-[3-[4-amino-6-(2-morpholin-4-ylethylamino)-1,3,5-triazin-2-yl]cyclohexyl]-2-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine with MolForge

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Launch Full Analysis

Related Compounds

6-[3-[4,6-bis(2-piperazin-1-ylethylamino)-1,3,5-triazin-2-yl]cyclohexyl]-2-N,4-N-bis(2-piperazin-1-ylethyl)-1,3,5-triazine-2,4-diamine
CID 53815598
6-[5-[4-Amino-6-(2-morpholin-4-ylethylamino)-1,3,5-triazin-2-yl]-2-bicyclo[2.2.1]heptanyl]-1,3,5-triazine-2,4-diamine
CID 53823487
6-[6-[4,6-bis(2-morpholin-4-ylethylamino)-1,3,5-triazin-2-yl]-2-bicyclo[2.2.1]heptanyl]-2-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine
CID 53925269
6-[5-[4-amino-6-(2-morpholin-4-ylethylamino)-1,3,5-triazin-2-yl]-2-bicyclo[2.2.1]heptanyl]-2-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine
CID 54215998
6-[4-[4,6-bis(2-morpholin-4-ylethylamino)-1,3,5-triazin-2-yl]cyclohexyl]-2-N,4-N-bis(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine
CID 54419777
6-[4-[4-Amino-6-(2-morpholin-4-ylethylamino)-1,3,5-triazin-2-yl]cyclohexyl]-1,3,5-triazine-2,4-diamine
CID 54436571
6-[5-[4,6-bis(2-morpholin-4-ylethylamino)-1,3,5-triazin-2-yl]-2-bicyclo[2.2.1]heptanyl]-2-N,4-N-bis(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine
CID 54568944
N-[[4-[amino-[4-morpholin-4-yl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]methyl]cyclohexyl]methyl]morpholine-4-sulfonamide
CID 57111566
N-[4-morpholin-4-yl-6-[3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pentan-3-yl]-1,3,5-triazin-2-yl]-N,N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-N'-pentan-3-ylhexane-1,6-diamine
CID 66803339
N-methyl-4-morpholin-4-yl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-6-[3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pentan-3-yl]-1,3,5-triazin-2-amine
CID 66803587
6-cyclohexyl-2-N,4-N-bis(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine
CID 67592814
6-[4-[4-amino-6-(2-morpholin-4-ylethylamino)-1,3,5-triazin-2-yl]-5-cycloheptylcycloheptyl]-2-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine
CID 67671789

Frequently Asked Questions

What is the IUPAC name of 6-[3-[4-amino-6-(2-morpholin-4-ylethylamino)-1,3,5-triazin-2-yl]cyclohexyl]-2-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[3-[4-amino-6-(2-morpholin-4-ylethylamino)-1,3,5-triazin-2-yl]cyclohexyl]-2-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine (CID 67613450) is 6-[3-[4-amino-6-(2-morpholin-4-ylethylamino)-1,3,5-triazin-2-yl]cyclohexyl]-2-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[3-[4-amino-6-(2-morpholin-4-ylethylamino)-1,3,5-triazin-2-yl]cyclohexyl]-2-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[3-[4-amino-6-(2-morpholin-4-ylethylamino)-1,3,5-triazin-2-yl]cyclohexyl]-2-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine is Nc1nc(NCCN2CCOCC2)nc(C2CCCC(c3nc(N)nc(NCCN4CCOCC4)n3)C2)n1.
What is the InChIKey of 6-[3-[4-amino-6-(2-morpholin-4-ylethylamino)-1,3,5-triazin-2-yl]cyclohexyl]-2-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is SMDOIDNLFLHVIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40N12O2/c25-21-29-19(31-23(33-21)27-4-6-35-8-12-37-13-9-35)17-2-1-3-18(16-17)20-30-22(26)34-24(32-20)28-5-7-36-10-14-38-15-11-36/h17-18H,1-16H2,(H3,25,27,29,31,33)(H3,26,28,30,32,34).
What are the key properties of 6-[3-[4-amino-6-(2-morpholin-4-ylethylamino)-1,3,5-triazin-2-yl]cyclohexyl]-2-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine?
6-[3-[4-amino-6-(2-morpholin-4-ylethylamino)-1,3,5-triazin-2-yl]cyclohexyl]-2-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 528.67 g/mol, XLogP of 0.15, 10 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[4-amino-6-(2-morpholin-4-ylethylamino)-1,3,5-triazin-2-yl]cyclohexyl]-2-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 67613450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).