4-(azepan-1-yl)-6-methoxy-N-(2-methyl-2-morpholin-4-ylpropyl)-1,3,5-triazin-2-amine

C18H32N6O2 — CID 133344627

IUPAC4-(azepan-1-yl)-6-methoxy-N-(2-methyl-2-morpholin-4-ylpropyl)-1,3,5-triazin-2-amine
SMILESCOc1nc(NCC(C)(C)N2CCOCC2)nc(N2CCCCCC2)n1
InChIInChI=1S/C18H32N6O2/c1-18(2,24-10-12-26-13-11-24)14-19-15-20-16(22-17(21-15)25-3)23-8-6-4-5-7-9-23/h4-14H2,1-3H3,(H,19,20,21,22)
InChIKeyNYZITFYULSCIPR-UHFFFAOYSA-N
MW364.49 g/mol
LogP1.78
Rot. Bonds6

About 4-(azepan-1-yl)-6-methoxy-N-(2-methyl-2-morpholin-4-ylpropyl)-1,3,5-triazin-2-amine

4-(azepan-1-yl)-6-methoxy-N-(2-methyl-2-morpholin-4-ylpropyl)-1,3,5-triazin-2-amine (PubChem CID 133344627) has the molecular formula C18H32N6O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 4-(azepan-1-yl)-6-methoxy-N-(2-methyl-2-morpholin-4-ylpropyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(azepan-1-yl)-6-methoxy-N-(2-methyl-2-morpholin-4-ylpropyl)-1,3,5-triazin-2-amine
PubChem CID133344627
Molecular FormulaC18H32N6O2
Molecular Weight364.49 g/mol
Exact Mass364.26
IUPAC Name4-(azepan-1-yl)-6-methoxy-N-(2-methyl-2-morpholin-4-ylpropyl)-1,3,5-triazin-2-amine
SMILESCOc1nc(NCC(C)(C)N2CCOCC2)nc(N2CCCCCC2)n1
InChIInChI=1S/C18H32N6O2/c1-18(2,24-10-12-26-13-11-24)14-19-15-20-16(22-17(21-15)25-3)23-8-6-4-5-7-9-23/h4-14H2,1-3H3,(H,19,20,21,22)
InChIKeyNYZITFYULSCIPR-UHFFFAOYSA-N
XLogP1.78
TPSA75.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-(azepan-1-yl)-6-methoxy-N-(2-methyl-2-morpholin-4-ylpropyl)-1,3,5-triazin-2-amine with MolForge

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Related Compounds

4-methoxy-6-morpholin-4-yl-N-propyl-1,3,5-triazin-2-amine
CID 80766525
4-methoxy-N-methyl-6-(1,4-oxazepan-4-yl)-1,3,5-triazin-2-amine
CID 80823279
1-[[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]amino]-2-(1-methylpyrazol-4-yl)propan-2-ol
CID 133344832
3-[[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]amino]propanoic acid
CID 122048209
4-methoxy-6-morpholin-4-yl-N-(pyridin-3-ylmethyl)-1,3,5-triazin-2-amine
CID 171982985
2-N-(2-methoxy-2-methylpropyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 104767252
5-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)pyrimidin-2-amine
CID 72935483
4-methoxy-6-morpholin-4-yl-N-phenyl-1,3,5-triazin-2-amine
CID 1077239
4-(azepan-1-yl)-6-propoxy-N-propyl-1,3,5-triazin-2-amine
CID 80750532
4-methoxy-6-(4-methyl-1,4-diazepan-1-yl)-N-propyl-1,3,5-triazin-2-amine
CID 80765758
2-[[4-(ethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]ethanol
CID 80866849
2-N-(2,2-dimethylpropyl)-4-N-ethyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80775565

Frequently Asked Questions

What is the IUPAC name of 4-(azepan-1-yl)-6-methoxy-N-(2-methyl-2-morpholin-4-ylpropyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-(azepan-1-yl)-6-methoxy-N-(2-methyl-2-morpholin-4-ylpropyl)-1,3,5-triazin-2-amine (CID 133344627) is 4-(azepan-1-yl)-6-methoxy-N-(2-methyl-2-morpholin-4-ylpropyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(azepan-1-yl)-6-methoxy-N-(2-methyl-2-morpholin-4-ylpropyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(azepan-1-yl)-6-methoxy-N-(2-methyl-2-morpholin-4-ylpropyl)-1,3,5-triazin-2-amine is COc1nc(NCC(C)(C)N2CCOCC2)nc(N2CCCCCC2)n1.
What is the InChIKey of 4-(azepan-1-yl)-6-methoxy-N-(2-methyl-2-morpholin-4-ylpropyl)-1,3,5-triazin-2-amine?
The InChIKey is NYZITFYULSCIPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N6O2/c1-18(2,24-10-12-26-13-11-24)14-19-15-20-16(22-17(21-15)25-3)23-8-6-4-5-7-9-23/h4-14H2,1-3H3,(H,19,20,21,22).
What are the key properties of 4-(azepan-1-yl)-6-methoxy-N-(2-methyl-2-morpholin-4-ylpropyl)-1,3,5-triazin-2-amine?
4-(azepan-1-yl)-6-methoxy-N-(2-methyl-2-morpholin-4-ylpropyl)-1,3,5-triazin-2-amine has a molecular weight of 364.49 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azepan-1-yl)-6-methoxy-N-(2-methyl-2-morpholin-4-ylpropyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 133344627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).