2-[4-(azepan-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]pyridin-4-amine

C18H25N7O — CID 122592589

IUPAC2-[4-(azepan-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]pyridin-4-amine
SMILESNc1ccnc(-c2nc(N3CCCCCC3)nc(N3CCOCC3)n2)c1
InChIInChI=1S/C18H25N7O/c19-14-5-6-20-15(13-14)16-21-17(24-7-3-1-2-4-8-24)23-18(22-16)25-9-11-26-12-10-25/h5-6,13H,1-4,7-12H2,(H2,19,20)
InChIKeyQVZBREYBBLQAAX-UHFFFAOYSA-N
MW355.45 g/mol
LogP1.73
Rot. Bonds3

About 2-[4-(azepan-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]pyridin-4-amine

2-[4-(azepan-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]pyridin-4-amine (PubChem CID 122592589) has the molecular formula C18H25N7O and a molecular weight of 355.45 g/mol. Its IUPAC name is 2-[4-(azepan-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]pyridin-4-amine.

Molecular Properties

Compound Name2-[4-(azepan-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]pyridin-4-amine
PubChem CID122592589
Molecular FormulaC18H25N7O
Molecular Weight355.45 g/mol
Exact Mass355.21
IUPAC Name2-[4-(azepan-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]pyridin-4-amine
SMILESNc1ccnc(-c2nc(N3CCCCCC3)nc(N3CCOCC3)n2)c1
InChIInChI=1S/C18H25N7O/c19-14-5-6-20-15(13-14)16-21-17(24-7-3-1-2-4-8-24)23-18(22-16)25-9-11-26-12-10-25/h5-6,13H,1-4,7-12H2,(H2,19,20)
InChIKeyQVZBREYBBLQAAX-UHFFFAOYSA-N
XLogP1.73
TPSA93.29 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.45
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[4-(azepan-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]pyridin-4-amine with MolForge

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Launch Full Analysis

Related Compounds

4-[4-(azepan-1-yl)-6-(4-ethenyl-2-pyridinyl)-1,3,5-triazin-2-yl]morpholine
CID 122592521
4-[4-(4-fluoro-2-pyridinyl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine
CID 58507943
4-(azepan-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 80764187
4-[4-morpholin-4-yl-6-(6-piperidin-1-yl-2-pyridinyl)-1,3,5-triazin-2-yl]morpholine
CID 58508085
4-(2-piperidin-1-ylpyrimidin-4-yl)morpholine
CID 112884623
4-(azepan-1-yl)-6-morpholin-4-yl-N,N-diphenyl-1,3,5-triazin-2-amine
CID 3927094
4-[4-(2-cyclopentyloxypyrimidin-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine
CID 58508214
4-[4-(azepan-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine;4-(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)morpholine
CID 45133473
4-(2-morpholin-4-yl-6-pyrrolidin-1-ylpyrimidin-4-yl)morpholine
CID 67897493
4-[4-(azepan-1-yl)-6-(2,4-dimethylpyrimidin-5-yl)-1,3,5-triazin-2-yl]morpholine
CID 122592543
4-[4-morpholin-4-yl-6-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazin-2-yl]morpholine
CID 58507712
tris(2-(4-amino-2-pyridinyl)pyridin-4-amine);ruthenium(2+);dichloride
CID 154703049

Frequently Asked Questions

What is the IUPAC name of 2-[4-(azepan-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]pyridin-4-amine?
The IUPAC name of 2-[4-(azepan-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]pyridin-4-amine (CID 122592589) is 2-[4-(azepan-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]pyridin-4-amine.
What is the SMILES notation for 2-[4-(azepan-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]pyridin-4-amine?
The canonical SMILES for 2-[4-(azepan-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]pyridin-4-amine is Nc1ccnc(-c2nc(N3CCCCCC3)nc(N3CCOCC3)n2)c1.
What is the InChIKey of 2-[4-(azepan-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]pyridin-4-amine?
The InChIKey is QVZBREYBBLQAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N7O/c19-14-5-6-20-15(13-14)16-21-17(24-7-3-1-2-4-8-24)23-18(22-16)25-9-11-26-12-10-25/h5-6,13H,1-4,7-12H2,(H2,19,20).
What are the key properties of 2-[4-(azepan-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]pyridin-4-amine?
2-[4-(azepan-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]pyridin-4-amine has a molecular weight of 355.45 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(azepan-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]pyridin-4-amine is sourced from PubChem (CID 122592589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).