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

C32H54N12O2 — CID 67671789

IUPAC6-[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
SMILESNc1nc(NCCN2CCOCC2)nc(C2CCC(c3nc(N)nc(NCCN4CCOCC4)n3)C(C3CCCCCC3)CC2)n1
InChIInChI=1S/C32H54N12O2/c33-29-37-27(39-31(41-29)35-11-13-43-15-19-45-20-16-43)24-7-9-25(23-5-3-1-2-4-6-23)26(10-8-24)28-38-30(34)42-32(40-28)36-12-14-44-17-21-46-22-18-44/h23-26H,1-22H2,(H3,33,35,37,39,41)(H3,34,36,38,40,42)
InChIKeyHKWHRBTURMXUTK-UHFFFAOYSA-N
MW638.87 g/mol
LogP2.74
Rot. Bonds11

About 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

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 (PubChem CID 67671789) has the molecular formula C32H54N12O2 and a molecular weight of 638.87 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-[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
PubChem CID67671789
Molecular FormulaC32H54N12O2
Molecular Weight638.87 g/mol
Exact Mass638.45
IUPAC Name6-[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
SMILESNc1nc(NCCN2CCOCC2)nc(C2CCC(c3nc(N)nc(NCCN4CCOCC4)n3)C(C3CCCCCC3)CC2)n1
InChIInChI=1S/C32H54N12O2/c33-29-37-27(39-31(41-29)35-11-13-43-15-19-45-20-16-43)24-7-9-25(23-5-3-1-2-4-6-23)26(10-8-24)28-38-30(34)42-32(40-28)36-12-14-44-17-21-46-22-18-44/h23-26H,1-22H2,(H3,33,35,37,39,41)(H3,34,36,38,40,42)
InChIKeyHKWHRBTURMXUTK-UHFFFAOYSA-N
XLogP2.74
TPSA178.38 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds11
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500638.87
LogP ≤ 52.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

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-cyclohexyl-2-N,4-N-bis(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine
CID 67592814
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
N-[8-methyl-7-(2,2,6,6-tetramethylpiperidin-4-yl)nonyl]-4-morpholin-4-yl-6-propan-2-yl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazin-2-amine
CID 134388824
N-ethyl-2,2,6,6-tetramethyl-N-[7-(4-morpholin-4-yl-6-propan-2-yl-1,3,5-triazin-2-yl)-7-(2,2,6,6-tetramethylpiperidin-4-yl)heptyl]piperidin-4-amine
CID 143395667

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Nc1nc(NCCN2CCOCC2)nc(C2CCC(c3nc(N)nc(NCCN4CCOCC4)n3)C(C3CCCCCC3)CC2)n1.
What is the InChIKey of 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?
The InChIKey is HKWHRBTURMXUTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H54N12O2/c33-29-37-27(39-31(41-29)35-11-13-43-15-19-45-20-16-43)24-7-9-25(23-5-3-1-2-4-6-23)26(10-8-24)28-38-30(34)42-32(40-28)36-12-14-44-17-21-46-22-18-44/h23-26H,1-22H2,(H3,33,35,37,39,41)(H3,34,36,38,40,42).
What are the key properties of 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?
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 has a molecular weight of 638.87 g/mol, XLogP of 2.74, 11 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 67671789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).