potassium;2-[2-[2-(2-chloro-5-methylpyrimidin-4-yl)ethyl]phenyl]propanamide;2-[2-[2-(2-chloro-5-methylpyrimidin-4-yl)ethynyl]phenyl]propanamide;2,4-dichloro-5-methylpyrimidine;2-(2-ethynylphenyl)propanamide;hydride;methane;2-[2-[2-[5-methyl-2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-yl]ethyl]phenyl]propanamide;1-methylpyrazol-4-amine;potassiopotassium

C76H92Cl4K7N17O4 — CID 159723645

IUPACpotassium;2-[2-[2-(2-chloro-5-methylpyrimidin-4-yl)ethyl]phenyl]propanamide;2-[2-[2-(2-chloro-5-methylpyrimidin-4-yl)ethynyl]phenyl]propanamide;2,4-dichloro-5-methylpyrimidine;2-(2-ethynylphenyl)propanamide;hydride;methane;2-[2-[2-[5-methyl-2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-yl]ethyl]phenyl]propanamide;1-methylpyrazol-4-amine;potassiopotassium
SMILESC.C.C.C#Cc1ccccc1C(C)C(N)=O.Cc1cnc(Cc2cnn(C)c2)nc1CCc1ccccc1C(C)C(N)=O.Cc1cnc(Cl)nc1C#Cc1ccccc1C(C)C(N)=O.Cc1cnc(Cl)nc1CCc1ccccc1C(C)C(N)=O.Cc1cnc(Cl)nc1Cl.Cn1cc(N)cn1.[H-].[K+].[K][K].[K][K].[K][K]
InChIInChI=1S/C21H25N5O.C16H18ClN3O.C16H14ClN3O.C11H11NO.C5H4Cl2N2.C4H7N3.3CH4.7K.H/c1-14-11-23-20(10-16-12-24-26(3)13-16)25-19(14)9-8-17-6-4-5-7-18(17)15(2)21(22)27;2*1-10-9-19-16(17)20-14(10)8-7-12-5-3-4-6-13(12)11(2)15(18)21;1-3-9-6-4-5-7-10(9)8(2)11(12)13;1-3-2-8-5(7)9-4(3)6;1-7-3-4(5)2-6-7;;;;;;;;;;;/h4-7,11-13,15H,8-10H2,1-3H3,(H2,22,27);3-6,9,11H,7-8H2,1-2H3,(H2,18,21);3-6,9,11H,1-2H3,(H2,18,21);1,4-8H,2H3,(H2,12,13);2H,1H3;2-3H,5H2,1H3;3*1H4;;;;;;;;/q;;;;;;;;;;;;;;;+1;-1
InChIKeyALGOZUXVJFWZPS-UHFFFAOYSA-N
MW1723.18 g/mol
LogP7.81
Rot. Bonds16

About potassium;2-[2-[2-(2-chloro-5-methylpyrimidin-4-yl)ethyl]phenyl]propanamide;2-[2-[2-(2-chloro-5-methylpyrimidin-4-yl)ethynyl]phenyl]propanamide;2,4-dichloro-5-methylpyrimidine;2-(2-ethynylphenyl)propanamide;hydride;methane;2-[2-[2-[5-methyl-2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-yl]ethyl]phenyl]propanamide;1-methylpyrazol-4-amine;potassiopotassium

potassium;2-[2-[2-(2-chloro-5-methylpyrimidin-4-yl)ethyl]phenyl]propanamide;2-[2-[2-(2-chloro-5-methylpyrimidin-4-yl)ethynyl]phenyl]propanamide;2,4-dichloro-5-methylpyrimidine;2-(2-ethynylphenyl)propanamide;hydride;methane;2-[2-[2-[5-methyl-2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-yl]ethyl]phenyl]propanamide;1-methylpyrazol-4-amine;potassiopotassium (PubChem CID 159723645) has the molecular formula C76H92Cl4K7N17O4 and a molecular weight of 1723.18 g/mol. Its IUPAC name is potassium;2-[2-[2-(2-chloro-5-methylpyrimidin-4-yl)ethyl]phenyl]propanamide;2-[2-[2-(2-chloro-5-methylpyrimidin-4-yl)ethynyl]phenyl]propanamide;2,4-dichloro-5-methylpyrimidine;2-(2-ethynylphenyl)propanamide;hydride;methane;2-[2-[2-[5-methyl-2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-yl]ethyl]phenyl]propanamide;1-methylpyrazol-4-amine;potassiopotassium.

Molecular Properties

Compound Namepotassium;2-[2-[2-(2-chloro-5-methylpyrimidin-4-yl)ethyl]phenyl]propanamide;2-[2-[2-(2-chloro-5-methylpyrimidin-4-yl)ethynyl]phenyl]propanamide;2,4-dichloro-5-methylpyrimidine;2-(2-ethynylphenyl)propanamide;hydride;methane;2-[2-[2-[5-methyl-2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-yl]ethyl]phenyl]propanamide;1-methylpyrazol-4-amine;potassiopotassium
PubChem CID159723645
Molecular FormulaC76H92Cl4K7N17O4
Molecular Weight1723.18 g/mol
Exact Mass1719.37
IUPAC Namepotassium;2-[2-[2-(2-chloro-5-methylpyrimidin-4-yl)ethyl]phenyl]propanamide;2-[2-[2-(2-chloro-5-methylpyrimidin-4-yl)ethynyl]phenyl]propanamide;2,4-dichloro-5-methylpyrimidine;2-(2-ethynylphenyl)propanamide;hydride;methane;2-[2-[2-[5-methyl-2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-yl]ethyl]phenyl]propanamide;1-methylpyrazol-4-amine;potassiopotassium
SMILESC.C.C.C#Cc1ccccc1C(C)C(N)=O.Cc1cnc(Cc2cnn(C)c2)nc1CCc1ccccc1C(C)C(N)=O.Cc1cnc(Cl)nc1C#Cc1ccccc1C(C)C(N)=O.Cc1cnc(Cl)nc1CCc1ccccc1C(C)C(N)=O.Cc1cnc(Cl)nc1Cl.Cn1cc(N)cn1.[H-].[K+].[K][K].[K][K].[K][K]
InChIInChI=1S/C21H25N5O.C16H18ClN3O.C16H14ClN3O.C11H11NO.C5H4Cl2N2.C4H7N3.3CH4.7K.H/c1-14-11-23-20(10-16-12-24-26(3)13-16)25-19(14)9-8-17-6-4-5-7-18(17)15(2)21(22)27;2*1-10-9-19-16(17)20-14(10)8-7-12-5-3-4-6-13(12)11(2)15(18)21;1-3-9-6-4-5-7-10(9)8(2)11(12)13;1-3-2-8-5(7)9-4(3)6;1-7-3-4(5)2-6-7;;;;;;;;;;;/h4-7,11-13,15H,8-10H2,1-3H3,(H2,22,27);3-6,9,11H,7-8H2,1-2H3,(H2,18,21);3-6,9,11H,1-2H3,(H2,18,21);1,4-8H,2H3,(H2,12,13);2H,1H3;2-3H,5H2,1H3;3*1H4;;;;;;;;/q;;;;;;;;;;;;;;;+1;-1
InChIKeyALGOZUXVJFWZPS-UHFFFAOYSA-N
XLogP7.81
TPSA337.14 Ų
H-Bond Donors5
H-Bond Acceptors17
Rotatable Bonds16
Heavy Atoms108
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001723.18
LogP ≤ 57.81
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

Analyze potassium;2-[2-[2-(2-chloro-5-methylpyrimidin-4-yl)ethyl]phenyl]propanamide;2-[2-[2-(2-chloro-5-methylpyrimidin-4-yl)ethynyl]phenyl]propanamide;2,4-dichloro-5-methylpyrimidine;2-(2-ethynylphenyl)propanamide;hydride;methane;2-[2-[2-[5-methyl-2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-yl]ethyl]phenyl]propanamide;1-methylpyrazol-4-amine;potassiopotassium with MolForge

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Frequently Asked Questions

What is the IUPAC name of potassium;2-[2-[2-(2-chloro-5-methylpyrimidin-4-yl)ethyl]phenyl]propanamide;2-[2-[2-(2-chloro-5-methylpyrimidin-4-yl)ethynyl]phenyl]propanamide;2,4-dichloro-5-methylpyrimidine;2-(2-ethynylphenyl)propanamide;hydride;methane;2-[2-[2-[5-methyl-2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-yl]ethyl]phenyl]propanamide;1-methylpyrazol-4-amine;potassiopotassium?
The IUPAC name of potassium;2-[2-[2-(2-chloro-5-methylpyrimidin-4-yl)ethyl]phenyl]propanamide;2-[2-[2-(2-chloro-5-methylpyrimidin-4-yl)ethynyl]phenyl]propanamide;2,4-dichloro-5-methylpyrimidine;2-(2-ethynylphenyl)propanamide;hydride;methane;2-[2-[2-[5-methyl-2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-yl]ethyl]phenyl]propanamide;1-methylpyrazol-4-amine;potassiopotassium (CID 159723645) is potassium;2-[2-[2-(2-chloro-5-methylpyrimidin-4-yl)ethyl]phenyl]propanamide;2-[2-[2-(2-chloro-5-methylpyrimidin-4-yl)ethynyl]phenyl]propanamide;2,4-dichloro-5-methylpyrimidine;2-(2-ethynylphenyl)propanamide;hydride;methane;2-[2-[2-[5-methyl-2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-yl]ethyl]phenyl]propanamide;1-methylpyrazol-4-amine;potassiopotassium.
What is the SMILES notation for potassium;2-[2-[2-(2-chloro-5-methylpyrimidin-4-yl)ethyl]phenyl]propanamide;2-[2-[2-(2-chloro-5-methylpyrimidin-4-yl)ethynyl]phenyl]propanamide;2,4-dichloro-5-methylpyrimidine;2-(2-ethynylphenyl)propanamide;hydride;methane;2-[2-[2-[5-methyl-2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-yl]ethyl]phenyl]propanamide;1-methylpyrazol-4-amine;potassiopotassium?
The canonical SMILES for potassium;2-[2-[2-(2-chloro-5-methylpyrimidin-4-yl)ethyl]phenyl]propanamide;2-[2-[2-(2-chloro-5-methylpyrimidin-4-yl)ethynyl]phenyl]propanamide;2,4-dichloro-5-methylpyrimidine;2-(2-ethynylphenyl)propanamide;hydride;methane;2-[2-[2-[5-methyl-2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-yl]ethyl]phenyl]propanamide;1-methylpyrazol-4-amine;potassiopotassium is C.C.C.C#Cc1ccccc1C(C)C(N)=O.Cc1cnc(Cc2cnn(C)c2)nc1CCc1ccccc1C(C)C(N)=O.Cc1cnc(Cl)nc1C#Cc1ccccc1C(C)C(N)=O.Cc1cnc(Cl)nc1CCc1ccccc1C(C)C(N)=O.Cc1cnc(Cl)nc1Cl.Cn1cc(N)cn1.[H-].[K+].[K][K].[K][K].[K][K].
What is the InChIKey of potassium;2-[2-[2-(2-chloro-5-methylpyrimidin-4-yl)ethyl]phenyl]propanamide;2-[2-[2-(2-chloro-5-methylpyrimidin-4-yl)ethynyl]phenyl]propanamide;2,4-dichloro-5-methylpyrimidine;2-(2-ethynylphenyl)propanamide;hydride;methane;2-[2-[2-[5-methyl-2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-yl]ethyl]phenyl]propanamide;1-methylpyrazol-4-amine;potassiopotassium?
The InChIKey is ALGOZUXVJFWZPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O.C16H18ClN3O.C16H14ClN3O.C11H11NO.C5H4Cl2N2.C4H7N3.3CH4.7K.H/c1-14-11-23-20(10-16-12-24-26(3)13-16)25-19(14)9-8-17-6-4-5-7-18(17)15(2)21(22)27;2*1-10-9-19-16(17)20-14(10)8-7-12-5-3-4-6-13(12)11(2)15(18)21;1-3-9-6-4-5-7-10(9)8(2)11(12)13;1-3-2-8-5(7)9-4(3)6;1-7-3-4(5)2-6-7;;;;;;;;;;;/h4-7,11-13,15H,8-10H2,1-3H3,(H2,22,27);3-6,9,11H,7-8H2,1-2H3,(H2,18,21);3-6,9,11H,1-2H3,(H2,18,21);1,4-8H,2H3,(H2,12,13);2H,1H3;2-3H,5H2,1H3;3*1H4;;;;;;;;/q;;;;;;;;;;;;;;;+1;-1.
What are the key properties of potassium;2-[2-[2-(2-chloro-5-methylpyrimidin-4-yl)ethyl]phenyl]propanamide;2-[2-[2-(2-chloro-5-methylpyrimidin-4-yl)ethynyl]phenyl]propanamide;2,4-dichloro-5-methylpyrimidine;2-(2-ethynylphenyl)propanamide;hydride;methane;2-[2-[2-[5-methyl-2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-yl]ethyl]phenyl]propanamide;1-methylpyrazol-4-amine;potassiopotassium?
potassium;2-[2-[2-(2-chloro-5-methylpyrimidin-4-yl)ethyl]phenyl]propanamide;2-[2-[2-(2-chloro-5-methylpyrimidin-4-yl)ethynyl]phenyl]propanamide;2,4-dichloro-5-methylpyrimidine;2-(2-ethynylphenyl)propanamide;hydride;methane;2-[2-[2-[5-methyl-2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-yl]ethyl]phenyl]propanamide;1-methylpyrazol-4-amine;potassiopotassium has a molecular weight of 1723.18 g/mol, XLogP of 7.81, 16 rotatable bonds, 5 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;2-[2-[2-(2-chloro-5-methylpyrimidin-4-yl)ethyl]phenyl]propanamide;2-[2-[2-(2-chloro-5-methylpyrimidin-4-yl)ethynyl]phenyl]propanamide;2,4-dichloro-5-methylpyrimidine;2-(2-ethynylphenyl)propanamide;hydride;methane;2-[2-[2-[5-methyl-2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-yl]ethyl]phenyl]propanamide;1-methylpyrazol-4-amine;potassiopotassium is sourced from PubChem (CID 159723645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).