4-chloro-2-[(6-methyl-3-pyridinyl)methyl]-5-(trifluoromethyl)pyrimidine;2,4-dichloro-5-(trifluoromethyl)pyrimidine;1-(2-ethynylphenyl)cyclopropane-1-carboxamide;methane;6-methylpyridin-3-amine;1-[2-[2-[2-[(6-methyl-3-pyridinyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide;1-[2-[2-[2-[(6-methyl-3-pyridinyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethynyl]phenyl]cyclopropane-1-carboxamide;potassiopotassium

C85H79Cl3F12K6N16O3 — CID 159950282

IUPAC4-chloro-2-[(6-methyl-3-pyridinyl)methyl]-5-(trifluoromethyl)pyrimidine;2,4-dichloro-5-(trifluoromethyl)pyrimidine;1-(2-ethynylphenyl)cyclopropane-1-carboxamide;methane;6-methylpyridin-3-amine;1-[2-[2-[2-[(6-methyl-3-pyridinyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide;1-[2-[2-[2-[(6-methyl-3-pyridinyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethynyl]phenyl]cyclopropane-1-carboxamide;potassiopotassium
SMILESC.C.C#Cc1ccccc1C1(C(N)=O)CC1.Cc1ccc(Cc2ncc(C(F)(F)F)c(C#Cc3ccccc3C3(C(N)=O)CC3)n2)cn1.Cc1ccc(Cc2ncc(C(F)(F)F)c(CCc3ccccc3C3(C(N)=O)CC3)n2)cn1.Cc1ccc(Cc2ncc(C(F)(F)F)c(Cl)n2)cn1.Cc1ccc(N)cn1.FC(F)(F)c1cnc(Cl)nc1Cl.[K][K].[K][K].[K][K]
InChIInChI=1S/C24H23F3N4O.C24H19F3N4O.C12H9ClF3N3.C12H11NO.C6H8N2.C5HCl2F3N2.2CH4.6K/c2*1-15-6-7-16(13-29-15)12-21-30-14-19(24(25,26)27)20(31-21)9-8-17-4-2-3-5-18(17)23(10-11-23)22(28)32;1-7-2-3-8(5-17-7)4-10-18-6-9(11(13)19-10)12(14,15)16;1-2-9-5-3-4-6-10(9)12(7-8-12)11(13)14;1-5-2-3-6(7)4-8-5;6-3-2(5(8,9)10)1-11-4(7)12-3;;;;;;;;/h2-7,13-14H,8-12H2,1H3,(H2,28,32);2-7,13-14H,10-12H2,1H3,(H2,28,32);2-3,5-6H,4H2,1H3;1,3-6H,7-8H2,(H2,13,14);2-4H,7H2,1H3;1H;2*1H4;;;;;;
InChIKeyOCAFITLXMCIFDO-UHFFFAOYSA-N
MW1941.60 g/mol
LogP15.19
Rot. Bonds15

About 4-chloro-2-[(6-methyl-3-pyridinyl)methyl]-5-(trifluoromethyl)pyrimidine;2,4-dichloro-5-(trifluoromethyl)pyrimidine;1-(2-ethynylphenyl)cyclopropane-1-carboxamide;methane;6-methylpyridin-3-amine;1-[2-[2-[2-[(6-methyl-3-pyridinyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide;1-[2-[2-[2-[(6-methyl-3-pyridinyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethynyl]phenyl]cyclopropane-1-carboxamide;potassiopotassium

4-chloro-2-[(6-methyl-3-pyridinyl)methyl]-5-(trifluoromethyl)pyrimidine;2,4-dichloro-5-(trifluoromethyl)pyrimidine;1-(2-ethynylphenyl)cyclopropane-1-carboxamide;methane;6-methylpyridin-3-amine;1-[2-[2-[2-[(6-methyl-3-pyridinyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide;1-[2-[2-[2-[(6-methyl-3-pyridinyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethynyl]phenyl]cyclopropane-1-carboxamide;potassiopotassium (PubChem CID 159950282) has the molecular formula C85H79Cl3F12K6N16O3 and a molecular weight of 1941.60 g/mol. Its IUPAC name is 4-chloro-2-[(6-methyl-3-pyridinyl)methyl]-5-(trifluoromethyl)pyrimidine;2,4-dichloro-5-(trifluoromethyl)pyrimidine;1-(2-ethynylphenyl)cyclopropane-1-carboxamide;methane;6-methylpyridin-3-amine;1-[2-[2-[2-[(6-methyl-3-pyridinyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide;1-[2-[2-[2-[(6-methyl-3-pyridinyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethynyl]phenyl]cyclopropane-1-carboxamide;potassiopotassium.

Molecular Properties

Compound Name4-chloro-2-[(6-methyl-3-pyridinyl)methyl]-5-(trifluoromethyl)pyrimidine;2,4-dichloro-5-(trifluoromethyl)pyrimidine;1-(2-ethynylphenyl)cyclopropane-1-carboxamide;methane;6-methylpyridin-3-amine;1-[2-[2-[2-[(6-methyl-3-pyridinyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide;1-[2-[2-[2-[(6-methyl-3-pyridinyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethynyl]phenyl]cyclopropane-1-carboxamide;potassiopotassium
PubChem CID159950282
Molecular FormulaC85H79Cl3F12K6N16O3
Molecular Weight1941.60 g/mol
Exact Mass1938.32
IUPAC Name4-chloro-2-[(6-methyl-3-pyridinyl)methyl]-5-(trifluoromethyl)pyrimidine;2,4-dichloro-5-(trifluoromethyl)pyrimidine;1-(2-ethynylphenyl)cyclopropane-1-carboxamide;methane;6-methylpyridin-3-amine;1-[2-[2-[2-[(6-methyl-3-pyridinyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide;1-[2-[2-[2-[(6-methyl-3-pyridinyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethynyl]phenyl]cyclopropane-1-carboxamide;potassiopotassium
SMILESC.C.C#Cc1ccccc1C1(C(N)=O)CC1.Cc1ccc(Cc2ncc(C(F)(F)F)c(C#Cc3ccccc3C3(C(N)=O)CC3)n2)cn1.Cc1ccc(Cc2ncc(C(F)(F)F)c(CCc3ccccc3C3(C(N)=O)CC3)n2)cn1.Cc1ccc(Cc2ncc(C(F)(F)F)c(Cl)n2)cn1.Cc1ccc(N)cn1.FC(F)(F)c1cnc(Cl)nc1Cl.[K][K].[K][K].[K][K]
InChIInChI=1S/C24H23F3N4O.C24H19F3N4O.C12H9ClF3N3.C12H11NO.C6H8N2.C5HCl2F3N2.2CH4.6K/c2*1-15-6-7-16(13-29-15)12-21-30-14-19(24(25,26)27)20(31-21)9-8-17-4-2-3-5-18(17)23(10-11-23)22(28)32;1-7-2-3-8(5-17-7)4-10-18-6-9(11(13)19-10)12(14,15)16;1-2-9-5-3-4-6-10(9)12(7-8-12)11(13)14;1-5-2-3-6(7)4-8-5;6-3-2(5(8,9)10)1-11-4(7)12-3;;;;;;;;/h2-7,13-14H,8-12H2,1H3,(H2,28,32);2-7,13-14H,10-12H2,1H3,(H2,28,32);2-3,5-6H,4H2,1H3;1,3-6H,7-8H2,(H2,13,14);2-4H,7H2,1H3;1H;2*1H4;;;;;;
InChIKeyOCAFITLXMCIFDO-UHFFFAOYSA-N
XLogP15.19
TPSA309.97 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds15
Heavy Atoms125
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001941.60
LogP ≤ 515.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 4-chloro-2-[(6-methyl-3-pyridinyl)methyl]-5-(trifluoromethyl)pyrimidine;2,4-dichloro-5-(trifluoromethyl)pyrimidine;1-(2-ethynylphenyl)cyclopropane-1-carboxamide;methane;6-methylpyridin-3-amine;1-[2-[2-[2-[(6-methyl-3-pyridinyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide;1-[2-[2-[2-[(6-methyl-3-pyridinyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethynyl]phenyl]cyclopropane-1-carboxamide;potassiopotassium with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(6-methyl-3-pyridinyl)methyl]-5-(trifluoromethyl)pyrimidine;2,4-dichloro-5-(trifluoromethyl)pyrimidine;1-(2-ethynylphenyl)cyclopropane-1-carboxamide;methane;6-methylpyridin-3-amine;1-[2-[2-[2-[(6-methyl-3-pyridinyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide;1-[2-[2-[2-[(6-methyl-3-pyridinyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethynyl]phenyl]cyclopropane-1-carboxamide;potassiopotassium?
The IUPAC name of 4-chloro-2-[(6-methyl-3-pyridinyl)methyl]-5-(trifluoromethyl)pyrimidine;2,4-dichloro-5-(trifluoromethyl)pyrimidine;1-(2-ethynylphenyl)cyclopropane-1-carboxamide;methane;6-methylpyridin-3-amine;1-[2-[2-[2-[(6-methyl-3-pyridinyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide;1-[2-[2-[2-[(6-methyl-3-pyridinyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethynyl]phenyl]cyclopropane-1-carboxamide;potassiopotassium (CID 159950282) is 4-chloro-2-[(6-methyl-3-pyridinyl)methyl]-5-(trifluoromethyl)pyrimidine;2,4-dichloro-5-(trifluoromethyl)pyrimidine;1-(2-ethynylphenyl)cyclopropane-1-carboxamide;methane;6-methylpyridin-3-amine;1-[2-[2-[2-[(6-methyl-3-pyridinyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide;1-[2-[2-[2-[(6-methyl-3-pyridinyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethynyl]phenyl]cyclopropane-1-carboxamide;potassiopotassium.
What is the SMILES notation for 4-chloro-2-[(6-methyl-3-pyridinyl)methyl]-5-(trifluoromethyl)pyrimidine;2,4-dichloro-5-(trifluoromethyl)pyrimidine;1-(2-ethynylphenyl)cyclopropane-1-carboxamide;methane;6-methylpyridin-3-amine;1-[2-[2-[2-[(6-methyl-3-pyridinyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide;1-[2-[2-[2-[(6-methyl-3-pyridinyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethynyl]phenyl]cyclopropane-1-carboxamide;potassiopotassium?
The canonical SMILES for 4-chloro-2-[(6-methyl-3-pyridinyl)methyl]-5-(trifluoromethyl)pyrimidine;2,4-dichloro-5-(trifluoromethyl)pyrimidine;1-(2-ethynylphenyl)cyclopropane-1-carboxamide;methane;6-methylpyridin-3-amine;1-[2-[2-[2-[(6-methyl-3-pyridinyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide;1-[2-[2-[2-[(6-methyl-3-pyridinyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethynyl]phenyl]cyclopropane-1-carboxamide;potassiopotassium is C.C.C#Cc1ccccc1C1(C(N)=O)CC1.Cc1ccc(Cc2ncc(C(F)(F)F)c(C#Cc3ccccc3C3(C(N)=O)CC3)n2)cn1.Cc1ccc(Cc2ncc(C(F)(F)F)c(CCc3ccccc3C3(C(N)=O)CC3)n2)cn1.Cc1ccc(Cc2ncc(C(F)(F)F)c(Cl)n2)cn1.Cc1ccc(N)cn1.FC(F)(F)c1cnc(Cl)nc1Cl.[K][K].[K][K].[K][K].
What is the InChIKey of 4-chloro-2-[(6-methyl-3-pyridinyl)methyl]-5-(trifluoromethyl)pyrimidine;2,4-dichloro-5-(trifluoromethyl)pyrimidine;1-(2-ethynylphenyl)cyclopropane-1-carboxamide;methane;6-methylpyridin-3-amine;1-[2-[2-[2-[(6-methyl-3-pyridinyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide;1-[2-[2-[2-[(6-methyl-3-pyridinyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethynyl]phenyl]cyclopropane-1-carboxamide;potassiopotassium?
The InChIKey is OCAFITLXMCIFDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N4O.C24H19F3N4O.C12H9ClF3N3.C12H11NO.C6H8N2.C5HCl2F3N2.2CH4.6K/c2*1-15-6-7-16(13-29-15)12-21-30-14-19(24(25,26)27)20(31-21)9-8-17-4-2-3-5-18(17)23(10-11-23)22(28)32;1-7-2-3-8(5-17-7)4-10-18-6-9(11(13)19-10)12(14,15)16;1-2-9-5-3-4-6-10(9)12(7-8-12)11(13)14;1-5-2-3-6(7)4-8-5;6-3-2(5(8,9)10)1-11-4(7)12-3;;;;;;;;/h2-7,13-14H,8-12H2,1H3,(H2,28,32);2-7,13-14H,10-12H2,1H3,(H2,28,32);2-3,5-6H,4H2,1H3;1,3-6H,7-8H2,(H2,13,14);2-4H,7H2,1H3;1H;2*1H4;;;;;;.
What are the key properties of 4-chloro-2-[(6-methyl-3-pyridinyl)methyl]-5-(trifluoromethyl)pyrimidine;2,4-dichloro-5-(trifluoromethyl)pyrimidine;1-(2-ethynylphenyl)cyclopropane-1-carboxamide;methane;6-methylpyridin-3-amine;1-[2-[2-[2-[(6-methyl-3-pyridinyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide;1-[2-[2-[2-[(6-methyl-3-pyridinyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethynyl]phenyl]cyclopropane-1-carboxamide;potassiopotassium?
4-chloro-2-[(6-methyl-3-pyridinyl)methyl]-5-(trifluoromethyl)pyrimidine;2,4-dichloro-5-(trifluoromethyl)pyrimidine;1-(2-ethynylphenyl)cyclopropane-1-carboxamide;methane;6-methylpyridin-3-amine;1-[2-[2-[2-[(6-methyl-3-pyridinyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide;1-[2-[2-[2-[(6-methyl-3-pyridinyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethynyl]phenyl]cyclopropane-1-carboxamide;potassiopotassium has a molecular weight of 1941.60 g/mol, XLogP of 15.19, 15 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(6-methyl-3-pyridinyl)methyl]-5-(trifluoromethyl)pyrimidine;2,4-dichloro-5-(trifluoromethyl)pyrimidine;1-(2-ethynylphenyl)cyclopropane-1-carboxamide;methane;6-methylpyridin-3-amine;1-[2-[2-[2-[(6-methyl-3-pyridinyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide;1-[2-[2-[2-[(6-methyl-3-pyridinyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethynyl]phenyl]cyclopropane-1-carboxamide;potassiopotassium is sourced from PubChem (CID 159950282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).