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

C18H29N11O — CID 54436571

IUPAC6-[4-[4-amino-6-(2-morpholin-4-ylethylamino)-1,3,5-triazin-2-yl]cyclohexyl]-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(C2CCC(c3nc(N)nc(NCCN4CCOCC4)n3)CC2)n1
InChIInChI=1S/C18H29N11O/c19-15-23-13(24-16(20)27-15)11-1-3-12(4-2-11)14-25-17(21)28-18(26-14)22-5-6-29-7-9-30-10-8-29/h11-12H,1-10H2,(H4,19,20,23,24,27)(H3,21,22,25,26,28)
InChIKeyWLDUGVLLXOIVNC-UHFFFAOYSA-N
MW415.51 g/mol
LogP-0.01
Rot. Bonds6

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

6-[4-[4-amino-6-(2-morpholin-4-ylethylamino)-1,3,5-triazin-2-yl]cyclohexyl]-1,3,5-triazine-2,4-diamine (PubChem CID 54436571) has the molecular formula C18H29N11O and a molecular weight of 415.51 g/mol. Its IUPAC name is 6-[4-[4-amino-6-(2-morpholin-4-ylethylamino)-1,3,5-triazin-2-yl]cyclohexyl]-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]cyclohexyl]-1,3,5-triazine-2,4-diamine
PubChem CID54436571
Molecular FormulaC18H29N11O
Molecular Weight415.51 g/mol
Exact Mass415.26
IUPAC Name6-[4-[4-amino-6-(2-morpholin-4-ylethylamino)-1,3,5-triazin-2-yl]cyclohexyl]-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(C2CCC(c3nc(N)nc(NCCN4CCOCC4)n3)CC2)n1
InChIInChI=1S/C18H29N11O/c19-15-23-13(24-16(20)27-15)11-1-3-12(4-2-11)14-25-17(21)28-18(26-14)22-5-6-29-7-9-30-10-8-29/h11-12H,1-10H2,(H4,19,20,23,24,27)(H3,21,22,25,26,28)
InChIKeyWLDUGVLLXOIVNC-UHFFFAOYSA-N
XLogP-0.01
TPSA179.90 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.51
LogP ≤ 5-0.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

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

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Launch Full Analysis

Related Compounds

2-[[4-Amino-6-[4-[4-amino-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]cyclohexyl]-1,3,5-triazin-2-yl]amino]ethanol
CID 18926678
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-[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
N-[4-[amino-[4-morpholin-4-yl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]methyl]cyclohexyl]-N-methylmorpholine-4-sulfonamide
CID 54538270
2-[[4-[4-[4-Amino-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]cyclohexyl]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]ethanol
CID 54565156
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-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-[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
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
4-(Cyclohexylmethylamino)-6-morpholin-4-yl-1,3,5-triazine-2-carbonitrile
CID 69716417

Frequently Asked Questions

What is the IUPAC name of 6-[4-[4-amino-6-(2-morpholin-4-ylethylamino)-1,3,5-triazin-2-yl]cyclohexyl]-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]cyclohexyl]-1,3,5-triazine-2,4-diamine (CID 54436571) is 6-[4-[4-amino-6-(2-morpholin-4-ylethylamino)-1,3,5-triazin-2-yl]cyclohexyl]-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]cyclohexyl]-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]cyclohexyl]-1,3,5-triazine-2,4-diamine is Nc1nc(N)nc(C2CCC(c3nc(N)nc(NCCN4CCOCC4)n3)CC2)n1.
What is the InChIKey of 6-[4-[4-amino-6-(2-morpholin-4-ylethylamino)-1,3,5-triazin-2-yl]cyclohexyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is WLDUGVLLXOIVNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N11O/c19-15-23-13(24-16(20)27-15)11-1-3-12(4-2-11)14-25-17(21)28-18(26-14)22-5-6-29-7-9-30-10-8-29/h11-12H,1-10H2,(H4,19,20,23,24,27)(H3,21,22,25,26,28).
What are the key properties of 6-[4-[4-amino-6-(2-morpholin-4-ylethylamino)-1,3,5-triazin-2-yl]cyclohexyl]-1,3,5-triazine-2,4-diamine?
6-[4-[4-amino-6-(2-morpholin-4-ylethylamino)-1,3,5-triazin-2-yl]cyclohexyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 415.51 g/mol, XLogP of -0.01, 6 rotatable bonds, 4 hydrogen bond donors, and 12 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]cyclohexyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 54436571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).