N,N-dimethyl-4-[[4-[2-(methylamino)-1H-imidazol-5-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]benzamide

C20H24N8O3 — CID 122658952

IUPACN,N-dimethyl-4-[[4-[2-(methylamino)-1H-imidazol-5-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]benzamide
SMILESCNc1ncc(-c2nc(Oc3ccc(C(=O)N(C)C)cc3)nc(N3CCOCC3)n2)[nH]1
InChIInChI=1S/C20H24N8O3/c1-21-18-22-12-15(23-18)16-24-19(28-8-10-30-11-9-28)26-20(25-16)31-14-6-4-13(5-7-14)17(29)27(2)3/h4-7,12H,8-11H2,1-3H3,(H2,21,22,23)
InChIKeyDXICDMFYJCIMPJ-UHFFFAOYSA-N
MW424.47 g/mol
LogP1.63
Rot. Bonds6

About N,N-dimethyl-4-[[4-[2-(methylamino)-1H-imidazol-5-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]benzamide

N,N-dimethyl-4-[[4-[2-(methylamino)-1H-imidazol-5-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]benzamide (PubChem CID 122658952) has the molecular formula C20H24N8O3 and a molecular weight of 424.47 g/mol. Its IUPAC name is N,N-dimethyl-4-[[4-[2-(methylamino)-1H-imidazol-5-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[[4-[2-(methylamino)-1H-imidazol-5-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]benzamide
PubChem CID122658952
Molecular FormulaC20H24N8O3
Molecular Weight424.47 g/mol
Exact Mass424.20
IUPAC NameN,N-dimethyl-4-[[4-[2-(methylamino)-1H-imidazol-5-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]benzamide
SMILESCNc1ncc(-c2nc(Oc3ccc(C(=O)N(C)C)cc3)nc(N3CCOCC3)n2)[nH]1
InChIInChI=1S/C20H24N8O3/c1-21-18-22-12-15(23-18)16-24-19(28-8-10-30-11-9-28)26-20(25-16)31-14-6-4-13(5-7-14)17(29)27(2)3/h4-7,12H,8-11H2,1-3H3,(H2,21,22,23)
InChIKeyDXICDMFYJCIMPJ-UHFFFAOYSA-N
XLogP1.63
TPSA121.39 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.47
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

4-[[4-[(3S)-3-ethylmorpholin-4-yl]-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,3,5-triazin-2-yl]oxy]-N,N-dimethylbenzamide
CID 144559101
4-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]-N,N-dimethylbenzamide
CID 42613285
N-[4-[[4-(1H-indazol-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]phenyl]-2-methylpropanamide
CID 122659146
3-[4-[[4-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)phenyl]carbamoylamino]phenyl]-1,1-dimethylurea
CID 66586009
4-[[4-(3,5-dimethylmorpholin-4-yl)-6-(1H-indazol-4-yl)-1,3,5-triazin-2-yl]oxy]-N,N-dimethylbenzamide
CID 122658911
1-[2-(methylamino)ethyl]-3-[4-[4-morpholin-4-yl-6-(oxan-4-yloxy)-1,3,5-triazin-2-yl]phenyl]urea
CID 44516005
4-methoxy-N-(2-morpholin-4-ylpyrimidin-5-yl)benzamide
CID 53164846
4-ethoxy-N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]benzamide
CID 122253693
4-methoxy-N-methyl-N-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)benzamide
CID 3080151
N,N-dimethyl-4-[(4-morpholin-4-ylbenzoyl)amino]benzamide
CID 70703870
N,N-dimethyl-4-(morpholin-4-ylmethyl)benzamide
CID 43918660
4-methoxy-N-methyl-N-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)benzamide;hydrochloride
CID 3080150

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[[4-[2-(methylamino)-1H-imidazol-5-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]benzamide?
The IUPAC name of N,N-dimethyl-4-[[4-[2-(methylamino)-1H-imidazol-5-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]benzamide (CID 122658952) is N,N-dimethyl-4-[[4-[2-(methylamino)-1H-imidazol-5-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]benzamide.
What is the SMILES notation for N,N-dimethyl-4-[[4-[2-(methylamino)-1H-imidazol-5-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]benzamide?
The canonical SMILES for N,N-dimethyl-4-[[4-[2-(methylamino)-1H-imidazol-5-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]benzamide is CNc1ncc(-c2nc(Oc3ccc(C(=O)N(C)C)cc3)nc(N3CCOCC3)n2)[nH]1.
What is the InChIKey of N,N-dimethyl-4-[[4-[2-(methylamino)-1H-imidazol-5-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]benzamide?
The InChIKey is DXICDMFYJCIMPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N8O3/c1-21-18-22-12-15(23-18)16-24-19(28-8-10-30-11-9-28)26-20(25-16)31-14-6-4-13(5-7-14)17(29)27(2)3/h4-7,12H,8-11H2,1-3H3,(H2,21,22,23).
What are the key properties of N,N-dimethyl-4-[[4-[2-(methylamino)-1H-imidazol-5-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]benzamide?
N,N-dimethyl-4-[[4-[2-(methylamino)-1H-imidazol-5-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]benzamide has a molecular weight of 424.47 g/mol, XLogP of 1.63, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[[4-[2-(methylamino)-1H-imidazol-5-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]benzamide is sourced from PubChem (CID 122658952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).