N'-[5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-4-(trifluoromethyl)-2-pyridinyl]-N,N-dimethylmethanimidamide

C20H25F3N8O2 — CID 118479641

IUPACN'-[5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-4-(trifluoromethyl)-2-pyridinyl]-N,N-dimethylmethanimidamide
SMILESCN(C)/C=N/c1cc(C(F)(F)F)c(-c2nc(N3CCOCC3)nc(N3CCOCC3)n2)cn1
InChIInChI=1S/C20H25F3N8O2/c1-29(2)13-25-16-11-15(20(21,22)23)14(12-24-16)17-26-18(30-3-7-32-8-4-30)28-19(27-17)31-5-9-33-10-6-31/h11-13H,3-10H2,1-2H3/b25-13+
InChIKeyPPMVDQSQHSEYHY-DHRITJCHSA-N
MW466.47 g/mol
LogP1.85
Rot. Bonds5

About N'-[5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-4-(trifluoromethyl)-2-pyridinyl]-N,N-dimethylmethanimidamide

N'-[5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-4-(trifluoromethyl)-2-pyridinyl]-N,N-dimethylmethanimidamide (PubChem CID 118479641) has the molecular formula C20H25F3N8O2 and a molecular weight of 466.47 g/mol. Its IUPAC name is N'-[5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-4-(trifluoromethyl)-2-pyridinyl]-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-[5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-4-(trifluoromethyl)-2-pyridinyl]-N,N-dimethylmethanimidamide
PubChem CID118479641
Molecular FormulaC20H25F3N8O2
Molecular Weight466.47 g/mol
Exact Mass466.21
IUPAC NameN'-[5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-4-(trifluoromethyl)-2-pyridinyl]-N,N-dimethylmethanimidamide
SMILESCN(C)/C=N/c1cc(C(F)(F)F)c(-c2nc(N3CCOCC3)nc(N3CCOCC3)n2)cn1
InChIInChI=1S/C20H25F3N8O2/c1-29(2)13-25-16-11-15(20(21,22)23)14(12-24-16)17-26-18(30-3-7-32-8-4-30)28-19(27-17)31-5-9-33-10-6-31/h11-13H,3-10H2,1-2H3/b25-13+
InChIKeyPPMVDQSQHSEYHY-DHRITJCHSA-N
XLogP1.85
TPSA92.10 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.47
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-4-(trifluoromethyl)-2-pyridinyl]-N,N-dimethylmethanimidamide?
The IUPAC name of N'-[5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-4-(trifluoromethyl)-2-pyridinyl]-N,N-dimethylmethanimidamide (CID 118479641) is N'-[5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-4-(trifluoromethyl)-2-pyridinyl]-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-[5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-4-(trifluoromethyl)-2-pyridinyl]-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-[5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-4-(trifluoromethyl)-2-pyridinyl]-N,N-dimethylmethanimidamide is CN(C)/C=N/c1cc(C(F)(F)F)c(-c2nc(N3CCOCC3)nc(N3CCOCC3)n2)cn1.
What is the InChIKey of N'-[5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-4-(trifluoromethyl)-2-pyridinyl]-N,N-dimethylmethanimidamide?
The InChIKey is PPMVDQSQHSEYHY-DHRITJCHSA-N. The full InChI is InChI=1S/C20H25F3N8O2/c1-29(2)13-25-16-11-15(20(21,22)23)14(12-24-16)17-26-18(30-3-7-32-8-4-30)28-19(27-17)31-5-9-33-10-6-31/h11-13H,3-10H2,1-2H3/b25-13+.
What are the key properties of N'-[5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-4-(trifluoromethyl)-2-pyridinyl]-N,N-dimethylmethanimidamide?
N'-[5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-4-(trifluoromethyl)-2-pyridinyl]-N,N-dimethylmethanimidamide has a molecular weight of 466.47 g/mol, XLogP of 1.85, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-4-(trifluoromethyl)-2-pyridinyl]-N,N-dimethylmethanimidamide is sourced from PubChem (CID 118479641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).