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

C16H17ClF3N7O — CID 118471269

IUPACN'-[5-(4-chloro-6-morpholin-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(Cl)nc(N3CCOCC3)n2)cn1
InChIInChI=1S/C16H17ClF3N7O/c1-26(2)9-22-12-7-11(16(18,19)20)10(8-21-12)13-23-14(17)25-15(24-13)27-3-5-28-6-4-27/h7-9H,3-6H2,1-2H3/b22-9+
InChIKeyFCXHZVVWLVFMEX-LSFURLLWSA-N
MW415.81 g/mol
LogP2.66
Rot. Bonds4

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

N'-[5-(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)-4-(trifluoromethyl)-2-pyridinyl]-N,N-dimethylmethanimidamide (PubChem CID 118471269) has the molecular formula C16H17ClF3N7O and a molecular weight of 415.81 g/mol. Its IUPAC name is N'-[5-(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)-4-(trifluoromethyl)-2-pyridinyl]-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-[5-(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)-4-(trifluoromethyl)-2-pyridinyl]-N,N-dimethylmethanimidamide
PubChem CID118471269
Molecular FormulaC16H17ClF3N7O
Molecular Weight415.81 g/mol
Exact Mass415.11
IUPAC NameN'-[5-(4-chloro-6-morpholin-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(Cl)nc(N3CCOCC3)n2)cn1
InChIInChI=1S/C16H17ClF3N7O/c1-26(2)9-22-12-7-11(16(18,19)20)10(8-21-12)13-23-14(17)25-15(24-13)27-3-5-28-6-4-27/h7-9H,3-6H2,1-2H3/b22-9+
InChIKeyFCXHZVVWLVFMEX-LSFURLLWSA-N
XLogP2.66
TPSA79.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.81
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)-4-(trifluoromethyl)-2-pyridinyl]-N,N-dimethylmethanimidamide?
The IUPAC name of N'-[5-(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)-4-(trifluoromethyl)-2-pyridinyl]-N,N-dimethylmethanimidamide (CID 118471269) is N'-[5-(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)-4-(trifluoromethyl)-2-pyridinyl]-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-[5-(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)-4-(trifluoromethyl)-2-pyridinyl]-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-[5-(4-chloro-6-morpholin-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(Cl)nc(N3CCOCC3)n2)cn1.
What is the InChIKey of N'-[5-(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)-4-(trifluoromethyl)-2-pyridinyl]-N,N-dimethylmethanimidamide?
The InChIKey is FCXHZVVWLVFMEX-LSFURLLWSA-N. The full InChI is InChI=1S/C16H17ClF3N7O/c1-26(2)9-22-12-7-11(16(18,19)20)10(8-21-12)13-23-14(17)25-15(24-13)27-3-5-28-6-4-27/h7-9H,3-6H2,1-2H3/b22-9+.
What are the key properties of N'-[5-(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)-4-(trifluoromethyl)-2-pyridinyl]-N,N-dimethylmethanimidamide?
N'-[5-(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)-4-(trifluoromethyl)-2-pyridinyl]-N,N-dimethylmethanimidamide has a molecular weight of 415.81 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)-4-(trifluoromethyl)-2-pyridinyl]-N,N-dimethylmethanimidamide is sourced from PubChem (CID 118471269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).