N'-[5-(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)-4-(trifluoromethyl)-2-pyridinyl]-N,N-dimethylmethanimidamide;4-(4,6-dichloro-1,3,5-triazin-2-yl)morpholine;N,N-dimethyl-N'-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)-2-pyridinyl]methanimidamide

C38H46BCl3F6N14O4 — CID 158377002

IUPACN'-[5-(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)-4-(trifluoromethyl)-2-pyridinyl]-N,N-dimethylmethanimidamide;4-(4,6-dichloro-1,3,5-triazin-2-yl)morpholine;N,N-dimethyl-N'-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)-2-pyridinyl]methanimidamide
SMILESCN(C)/C=N/c1cc(C(F)(F)F)c(-c2nc(Cl)nc(N3CCOCC3)n2)cn1.CN(C)/C=N/c1cc(C(F)(F)F)c(B2OC(C)(C)C(C)(C)O2)cn1.Clc1nc(Cl)nc(N2CCOCC2)n1
InChIInChI=1S/C16H17ClF3N7O.C15H21BF3N3O2.C7H8Cl2N4O/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;1-13(2)14(3,4)24-16(23-13)11-8-20-12(21-9-22(5)6)7-10(11)15(17,18)19;8-5-10-6(9)12-7(11-5)13-1-3-14-4-2-13/h7-9H,3-6H2,1-2H3;7-9H,1-6H3;1-4H2/b22-9+;21-9+;
InChIKeyGVIANMWTKHZHEQ-JLNUELCVSA-N
MW994.04 g/mol
LogP6.30
Rot. Bonds8

About N'-[5-(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)-4-(trifluoromethyl)-2-pyridinyl]-N,N-dimethylmethanimidamide;4-(4,6-dichloro-1,3,5-triazin-2-yl)morpholine;N,N-dimethyl-N'-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)-2-pyridinyl]methanimidamide

N'-[5-(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)-4-(trifluoromethyl)-2-pyridinyl]-N,N-dimethylmethanimidamide;4-(4,6-dichloro-1,3,5-triazin-2-yl)morpholine;N,N-dimethyl-N'-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)-2-pyridinyl]methanimidamide (PubChem CID 158377002) has the molecular formula C38H46BCl3F6N14O4 and a molecular weight of 994.04 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;4-(4,6-dichloro-1,3,5-triazin-2-yl)morpholine;N,N-dimethyl-N'-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)-2-pyridinyl]methanimidamide.

Molecular Properties

Compound NameN'-[5-(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)-4-(trifluoromethyl)-2-pyridinyl]-N,N-dimethylmethanimidamide;4-(4,6-dichloro-1,3,5-triazin-2-yl)morpholine;N,N-dimethyl-N'-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)-2-pyridinyl]methanimidamide
PubChem CID158377002
Molecular FormulaC38H46BCl3F6N14O4
Molecular Weight994.04 g/mol
Exact Mass992.29
IUPAC NameN'-[5-(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)-4-(trifluoromethyl)-2-pyridinyl]-N,N-dimethylmethanimidamide;4-(4,6-dichloro-1,3,5-triazin-2-yl)morpholine;N,N-dimethyl-N'-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)-2-pyridinyl]methanimidamide
SMILESCN(C)/C=N/c1cc(C(F)(F)F)c(-c2nc(Cl)nc(N3CCOCC3)n2)cn1.CN(C)/C=N/c1cc(C(F)(F)F)c(B2OC(C)(C)C(C)(C)O2)cn1.Clc1nc(Cl)nc(N2CCOCC2)n1
InChIInChI=1S/C16H17ClF3N7O.C15H21BF3N3O2.C7H8Cl2N4O/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;1-13(2)14(3,4)24-16(23-13)11-8-20-12(21-9-22(5)6)7-10(11)15(17,18)19;8-5-10-6(9)12-7(11-5)13-1-3-14-4-2-13/h7-9H,3-6H2,1-2H3;7-9H,1-6H3;1-4H2/b22-9+;21-9+;
InChIKeyGVIANMWTKHZHEQ-JLNUELCVSA-N
XLogP6.30
TPSA177.72 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds8
Heavy Atoms66
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500994.04
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze N'-[5-(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)-4-(trifluoromethyl)-2-pyridinyl]-N,N-dimethylmethanimidamide;4-(4,6-dichloro-1,3,5-triazin-2-yl)morpholine;N,N-dimethyl-N'-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)-2-pyridinyl]methanimidamide with MolForge

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Related Compounds

5-[4,6-Bis(2,2-dimethylmorpholin-4-yl)-1,3,5-triazin-2-yl]-4-(difluoromethyl)pyridin-2-amine
CID 121334407
5-[4,6-bis[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 155540841
2-[5-(4,6-Dimorpholin-4-yl-1,3,5-triazin-2-yl)-4-(trifluoromethyl)pyridin-2-yl]guanidine
CID 58507837
5-[4-[(2R)-2-methylmorpholin-4-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 58507990
5-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 58508004
5-[4-[(2S)-2-methylmorpholin-4-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 58508071
5-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 58508155
5-[4-(2-Methylmorpholin-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 66987963
5-[4-(2,6-Dimethylmorpholin-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 76807790
Bis(5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine);hydrate
CID 87173418
N'-[5-(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)-4-(trifluoromethyl)pyridin-2-yl]-N,N-dimethylmethanimidamide
CID 118471269
N'-[5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-4-(trifluoromethyl)pyridin-2-yl]-N,N-dimethylmethanimidamide
CID 118479641

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;4-(4,6-dichloro-1,3,5-triazin-2-yl)morpholine;N,N-dimethyl-N'-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)-2-pyridinyl]methanimidamide?
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;4-(4,6-dichloro-1,3,5-triazin-2-yl)morpholine;N,N-dimethyl-N'-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)-2-pyridinyl]methanimidamide (CID 158377002) is N'-[5-(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)-4-(trifluoromethyl)-2-pyridinyl]-N,N-dimethylmethanimidamide;4-(4,6-dichloro-1,3,5-triazin-2-yl)morpholine;N,N-dimethyl-N'-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)-2-pyridinyl]methanimidamide.
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;4-(4,6-dichloro-1,3,5-triazin-2-yl)morpholine;N,N-dimethyl-N'-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)-2-pyridinyl]methanimidamide?
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;4-(4,6-dichloro-1,3,5-triazin-2-yl)morpholine;N,N-dimethyl-N'-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)-2-pyridinyl]methanimidamide is CN(C)/C=N/c1cc(C(F)(F)F)c(-c2nc(Cl)nc(N3CCOCC3)n2)cn1.CN(C)/C=N/c1cc(C(F)(F)F)c(B2OC(C)(C)C(C)(C)O2)cn1.Clc1nc(Cl)nc(N2CCOCC2)n1.
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;4-(4,6-dichloro-1,3,5-triazin-2-yl)morpholine;N,N-dimethyl-N'-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)-2-pyridinyl]methanimidamide?
The InChIKey is GVIANMWTKHZHEQ-JLNUELCVSA-N. The full InChI is InChI=1S/C16H17ClF3N7O.C15H21BF3N3O2.C7H8Cl2N4O/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;1-13(2)14(3,4)24-16(23-13)11-8-20-12(21-9-22(5)6)7-10(11)15(17,18)19;8-5-10-6(9)12-7(11-5)13-1-3-14-4-2-13/h7-9H,3-6H2,1-2H3;7-9H,1-6H3;1-4H2/b22-9+;21-9+;.
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;4-(4,6-dichloro-1,3,5-triazin-2-yl)morpholine;N,N-dimethyl-N'-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)-2-pyridinyl]methanimidamide?
N'-[5-(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)-4-(trifluoromethyl)-2-pyridinyl]-N,N-dimethylmethanimidamide;4-(4,6-dichloro-1,3,5-triazin-2-yl)morpholine;N,N-dimethyl-N'-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)-2-pyridinyl]methanimidamide has a molecular weight of 994.04 g/mol, XLogP of 6.30, 8 rotatable bonds, 0 hydrogen bond donors, and 16 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;4-(4,6-dichloro-1,3,5-triazin-2-yl)morpholine;N,N-dimethyl-N'-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)-2-pyridinyl]methanimidamide is sourced from PubChem (CID 158377002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).