sodium;(2R)-2-amino-4-methylpentanamide;4-chloro-6-(4-iodoanilino)-2-methylpyrimidine-5-carbonitrile;4,6-dichloro-2-methylpyrimidine-5-carbonitrile;ethaneperoxoic acid;2-formyl-4-(4-iodoanilino)-6-phenylmethoxypyrimidine-5-carbonitrile;hydride;4-iodoaniline;bis(4-(4-iodoanilino)-2-methyl-6-phenylmethoxypyrimidine-5-carbonitrile);methyliminophosphane;phenylmethanol;sulfur dioxide;hydrochloride

C97H92Cl4I5N23NaO11PS — CID 162015114

IUPACsodium;(2R)-2-amino-4-methylpentanamide;4-chloro-6-(4-iodoanilino)-2-methylpyrimidine-5-carbonitrile;4,6-dichloro-2-methylpyrimidine-5-carbonitrile;ethaneperoxoic acid;2-formyl-4-(4-iodoanilino)-6-phenylmethoxypyrimidine-5-carbonitrile;hydride;4-iodoaniline;bis(4-(4-iodoanilino)-2-methyl-6-phenylmethoxypyrimidine-5-carbonitrile);methyliminophosphane;phenylmethanol;sulfur dioxide;hydrochloride
SMILESCC(=O)OO.CC(C)C[C@@H](N)C(N)=O.Cc1nc(Cl)c(C#N)c(Cl)n1.Cc1nc(Cl)c(C#N)c(Nc2ccc(I)cc2)n1.Cc1nc(Nc2ccc(I)cc2)c(C#N)c(OCc2ccccc2)n1.Cc1nc(Nc2ccc(I)cc2)c(C#N)c(OCc2ccccc2)n1.Cl.N#Cc1c(Nc2ccc(I)cc2)nc(C=O)nc1OCc1ccccc1.Nc1ccc(I)cc1.O=S=O.OCc1ccccc1.[H-].[H]/P=N/C.[Na+]
InChIInChI=1S/C19H13IN4O2.2C19H15IN4O.C12H8ClIN4.C7H8O.C6H3Cl2N3.C6H6IN.C6H14N2O.C2H4O3.CH4NP.ClH.Na.O2S.H/c20-14-6-8-15(9-7-14)22-18-16(10-21)19(24-17(11-25)23-18)26-12-13-4-2-1-3-5-13;2*1-13-22-18(24-16-9-7-15(20)8-10-16)17(11-21)19(23-13)25-12-14-5-3-2-4-6-14;1-7-16-11(13)10(6-15)12(17-7)18-9-4-2-8(14)3-5-9;8-6-7-4-2-1-3-5-7;1-3-10-5(7)4(2-9)6(8)11-3;7-5-1-3-6(8)4-2-5;1-4(2)3-5(7)6(8)9;1-2(3)5-4;1-2-3;;;1-3-2;/h1-9,11H,12H2,(H,22,23,24);2*2-10H,12H2,1H3,(H,22,23,24);2-5H,1H3,(H,16,17,18);1-5,8H,6H2;1H3;1-4H,8H2;4-5H,3,7H2,1-2H3,(H2,8,9);4H,1H3;3H,1H3;1H;;;/q;;;;;;;;;;;+1;;-1/t;;;;;;;5-;;;;;;/m.......1....../s1
InChIKeyMRKGSOBXZVFVFK-WWKWKXBBSA-N
MW2618.32 g/mol
LogP19.61
Rot. Bonds22

About sodium;(2R)-2-amino-4-methylpentanamide;4-chloro-6-(4-iodoanilino)-2-methylpyrimidine-5-carbonitrile;4,6-dichloro-2-methylpyrimidine-5-carbonitrile;ethaneperoxoic acid;2-formyl-4-(4-iodoanilino)-6-phenylmethoxypyrimidine-5-carbonitrile;hydride;4-iodoaniline;bis(4-(4-iodoanilino)-2-methyl-6-phenylmethoxypyrimidine-5-carbonitrile);methyliminophosphane;phenylmethanol;sulfur dioxide;hydrochloride

sodium;(2R)-2-amino-4-methylpentanamide;4-chloro-6-(4-iodoanilino)-2-methylpyrimidine-5-carbonitrile;4,6-dichloro-2-methylpyrimidine-5-carbonitrile;ethaneperoxoic acid;2-formyl-4-(4-iodoanilino)-6-phenylmethoxypyrimidine-5-carbonitrile;hydride;4-iodoaniline;bis(4-(4-iodoanilino)-2-methyl-6-phenylmethoxypyrimidine-5-carbonitrile);methyliminophosphane;phenylmethanol;sulfur dioxide;hydrochloride (PubChem CID 162015114) has the molecular formula C97H92Cl4I5N23NaO11PS and a molecular weight of 2618.32 g/mol. Its IUPAC name is sodium;(2R)-2-amino-4-methylpentanamide;4-chloro-6-(4-iodoanilino)-2-methylpyrimidine-5-carbonitrile;4,6-dichloro-2-methylpyrimidine-5-carbonitrile;ethaneperoxoic acid;2-formyl-4-(4-iodoanilino)-6-phenylmethoxypyrimidine-5-carbonitrile;hydride;4-iodoaniline;bis(4-(4-iodoanilino)-2-methyl-6-phenylmethoxypyrimidine-5-carbonitrile);methyliminophosphane;phenylmethanol;sulfur dioxide;hydrochloride.

Molecular Properties

Compound Namesodium;(2R)-2-amino-4-methylpentanamide;4-chloro-6-(4-iodoanilino)-2-methylpyrimidine-5-carbonitrile;4,6-dichloro-2-methylpyrimidine-5-carbonitrile;ethaneperoxoic acid;2-formyl-4-(4-iodoanilino)-6-phenylmethoxypyrimidine-5-carbonitrile;hydride;4-iodoaniline;bis(4-(4-iodoanilino)-2-methyl-6-phenylmethoxypyrimidine-5-carbonitrile);methyliminophosphane;phenylmethanol;sulfur dioxide;hydrochloride
PubChem CID162015114
Molecular FormulaC97H92Cl4I5N23NaO11PS
Molecular Weight2618.32 g/mol
Exact Mass2615.07
IUPAC Namesodium;(2R)-2-amino-4-methylpentanamide;4-chloro-6-(4-iodoanilino)-2-methylpyrimidine-5-carbonitrile;4,6-dichloro-2-methylpyrimidine-5-carbonitrile;ethaneperoxoic acid;2-formyl-4-(4-iodoanilino)-6-phenylmethoxypyrimidine-5-carbonitrile;hydride;4-iodoaniline;bis(4-(4-iodoanilino)-2-methyl-6-phenylmethoxypyrimidine-5-carbonitrile);methyliminophosphane;phenylmethanol;sulfur dioxide;hydrochloride
SMILESCC(=O)OO.CC(C)C[C@@H](N)C(N)=O.Cc1nc(Cl)c(C#N)c(Cl)n1.Cc1nc(Cl)c(C#N)c(Nc2ccc(I)cc2)n1.Cc1nc(Nc2ccc(I)cc2)c(C#N)c(OCc2ccccc2)n1.Cc1nc(Nc2ccc(I)cc2)c(C#N)c(OCc2ccccc2)n1.Cl.N#Cc1c(Nc2ccc(I)cc2)nc(C=O)nc1OCc1ccccc1.Nc1ccc(I)cc1.O=S=O.OCc1ccccc1.[H-].[H]/P=N/C.[Na+]
InChIInChI=1S/C19H13IN4O2.2C19H15IN4O.C12H8ClIN4.C7H8O.C6H3Cl2N3.C6H6IN.C6H14N2O.C2H4O3.CH4NP.ClH.Na.O2S.H/c20-14-6-8-15(9-7-14)22-18-16(10-21)19(24-17(11-25)23-18)26-12-13-4-2-1-3-5-13;2*1-13-22-18(24-16-9-7-15(20)8-10-16)17(11-21)19(23-13)25-12-14-5-3-2-4-6-14;1-7-16-11(13)10(6-15)12(17-7)18-9-4-2-8(14)3-5-9;8-6-7-4-2-1-3-5-7;1-3-10-5(7)4(2-9)6(8)11-3;7-5-1-3-6(8)4-2-5;1-4(2)3-5(7)6(8)9;1-2(3)5-4;1-2-3;;;1-3-2;/h1-9,11H,12H2,(H,22,23,24);2*2-10H,12H2,1H3,(H,22,23,24);2-5H,1H3,(H,16,17,18);1-5,8H,6H2;1H3;1-4H,8H2;4-5H,3,7H2,1-2H3,(H2,8,9);4H,1H3;3H,1H3;1H;;;/q;;;;;;;;;;;+1;;-1/t;;;;;;;5-;;;;;;/m.......1....../s1
InChIKeyMRKGSOBXZVFVFK-WWKWKXBBSA-N
XLogP19.61
TPSA549.12 Ų
H-Bond Donors9
H-Bond Acceptors33
Rotatable Bonds22
Heavy Atoms143
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002618.32
LogP ≤ 519.61
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze sodium;(2R)-2-amino-4-methylpentanamide;4-chloro-6-(4-iodoanilino)-2-methylpyrimidine-5-carbonitrile;4,6-dichloro-2-methylpyrimidine-5-carbonitrile;ethaneperoxoic acid;2-formyl-4-(4-iodoanilino)-6-phenylmethoxypyrimidine-5-carbonitrile;hydride;4-iodoaniline;bis(4-(4-iodoanilino)-2-methyl-6-phenylmethoxypyrimidine-5-carbonitrile);methyliminophosphane;phenylmethanol;sulfur dioxide;hydrochloride with MolForge

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Related Compounds

tert-butyl N-[5-cyano-4-(4-iodoanilino)-6-phenylmethoxypyrimidin-2-yl]-N-methylcarbamate
CID 24787209
4-(4-ethylanilino)-2-methylsulfonyl-6-phenylmethoxypyrimidine-5-carbonitrile
CID 123645378
(2R)-2-[[5-cyano-4-[3-(3-methyl-2-pyridinyl)anilino]-6-phenylmethoxypyrimidin-2-yl]amino]butanamide
CID 159806385
2-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-4-(1,3-benzodioxol-5-ylamino)-6-phenylmethoxypyrimidine-5-carboxamide
CID 123185740
N-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-(4-phenylmethoxyphenyl)acetamide
CID 11524194
benzyl 2-amino-4-methylpentanoate;hydrochloride
CID 19885596
(3-amino-6-methyl-2-phenylmethoxy-4-pyridinyl)methanol
CID 139508361
ethyl 3-amino-4-cyano-5-phenylmethoxythiophene-2-carboxylate
CID 100766934
4-amino-6-benzyl-2-ethoxypyridine-3-carbonitrile
CID 70924925
5-amino-1-ethyl-3-phenylmethoxypyrazole-4-carbonitrile
CID 100762021
N-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-phenylacetamide
CID 11558435
methyl 2-[[5-(2-aminoethyl)-4-(4-phenylmethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate
CID 23940989

Frequently Asked Questions

What is the IUPAC name of sodium;(2R)-2-amino-4-methylpentanamide;4-chloro-6-(4-iodoanilino)-2-methylpyrimidine-5-carbonitrile;4,6-dichloro-2-methylpyrimidine-5-carbonitrile;ethaneperoxoic acid;2-formyl-4-(4-iodoanilino)-6-phenylmethoxypyrimidine-5-carbonitrile;hydride;4-iodoaniline;bis(4-(4-iodoanilino)-2-methyl-6-phenylmethoxypyrimidine-5-carbonitrile);methyliminophosphane;phenylmethanol;sulfur dioxide;hydrochloride?
The IUPAC name of sodium;(2R)-2-amino-4-methylpentanamide;4-chloro-6-(4-iodoanilino)-2-methylpyrimidine-5-carbonitrile;4,6-dichloro-2-methylpyrimidine-5-carbonitrile;ethaneperoxoic acid;2-formyl-4-(4-iodoanilino)-6-phenylmethoxypyrimidine-5-carbonitrile;hydride;4-iodoaniline;bis(4-(4-iodoanilino)-2-methyl-6-phenylmethoxypyrimidine-5-carbonitrile);methyliminophosphane;phenylmethanol;sulfur dioxide;hydrochloride (CID 162015114) is sodium;(2R)-2-amino-4-methylpentanamide;4-chloro-6-(4-iodoanilino)-2-methylpyrimidine-5-carbonitrile;4,6-dichloro-2-methylpyrimidine-5-carbonitrile;ethaneperoxoic acid;2-formyl-4-(4-iodoanilino)-6-phenylmethoxypyrimidine-5-carbonitrile;hydride;4-iodoaniline;bis(4-(4-iodoanilino)-2-methyl-6-phenylmethoxypyrimidine-5-carbonitrile);methyliminophosphane;phenylmethanol;sulfur dioxide;hydrochloride.
What is the SMILES notation for sodium;(2R)-2-amino-4-methylpentanamide;4-chloro-6-(4-iodoanilino)-2-methylpyrimidine-5-carbonitrile;4,6-dichloro-2-methylpyrimidine-5-carbonitrile;ethaneperoxoic acid;2-formyl-4-(4-iodoanilino)-6-phenylmethoxypyrimidine-5-carbonitrile;hydride;4-iodoaniline;bis(4-(4-iodoanilino)-2-methyl-6-phenylmethoxypyrimidine-5-carbonitrile);methyliminophosphane;phenylmethanol;sulfur dioxide;hydrochloride?
The canonical SMILES for sodium;(2R)-2-amino-4-methylpentanamide;4-chloro-6-(4-iodoanilino)-2-methylpyrimidine-5-carbonitrile;4,6-dichloro-2-methylpyrimidine-5-carbonitrile;ethaneperoxoic acid;2-formyl-4-(4-iodoanilino)-6-phenylmethoxypyrimidine-5-carbonitrile;hydride;4-iodoaniline;bis(4-(4-iodoanilino)-2-methyl-6-phenylmethoxypyrimidine-5-carbonitrile);methyliminophosphane;phenylmethanol;sulfur dioxide;hydrochloride is CC(=O)OO.CC(C)C[C@@H](N)C(N)=O.Cc1nc(Cl)c(C#N)c(Cl)n1.Cc1nc(Cl)c(C#N)c(Nc2ccc(I)cc2)n1.Cc1nc(Nc2ccc(I)cc2)c(C#N)c(OCc2ccccc2)n1.Cc1nc(Nc2ccc(I)cc2)c(C#N)c(OCc2ccccc2)n1.Cl.N#Cc1c(Nc2ccc(I)cc2)nc(C=O)nc1OCc1ccccc1.Nc1ccc(I)cc1.O=S=O.OCc1ccccc1.[H-].[H]/P=N/C.[Na+].
What is the InChIKey of sodium;(2R)-2-amino-4-methylpentanamide;4-chloro-6-(4-iodoanilino)-2-methylpyrimidine-5-carbonitrile;4,6-dichloro-2-methylpyrimidine-5-carbonitrile;ethaneperoxoic acid;2-formyl-4-(4-iodoanilino)-6-phenylmethoxypyrimidine-5-carbonitrile;hydride;4-iodoaniline;bis(4-(4-iodoanilino)-2-methyl-6-phenylmethoxypyrimidine-5-carbonitrile);methyliminophosphane;phenylmethanol;sulfur dioxide;hydrochloride?
The InChIKey is MRKGSOBXZVFVFK-WWKWKXBBSA-N. The full InChI is InChI=1S/C19H13IN4O2.2C19H15IN4O.C12H8ClIN4.C7H8O.C6H3Cl2N3.C6H6IN.C6H14N2O.C2H4O3.CH4NP.ClH.Na.O2S.H/c20-14-6-8-15(9-7-14)22-18-16(10-21)19(24-17(11-25)23-18)26-12-13-4-2-1-3-5-13;2*1-13-22-18(24-16-9-7-15(20)8-10-16)17(11-21)19(23-13)25-12-14-5-3-2-4-6-14;1-7-16-11(13)10(6-15)12(17-7)18-9-4-2-8(14)3-5-9;8-6-7-4-2-1-3-5-7;1-3-10-5(7)4(2-9)6(8)11-3;7-5-1-3-6(8)4-2-5;1-4(2)3-5(7)6(8)9;1-2(3)5-4;1-2-3;;;1-3-2;/h1-9,11H,12H2,(H,22,23,24);2*2-10H,12H2,1H3,(H,22,23,24);2-5H,1H3,(H,16,17,18);1-5,8H,6H2;1H3;1-4H,8H2;4-5H,3,7H2,1-2H3,(H2,8,9);4H,1H3;3H,1H3;1H;;;/q;;;;;;;;;;;+1;;-1/t;;;;;;;5-;;;;;;/m.......1....../s1.
What are the key properties of sodium;(2R)-2-amino-4-methylpentanamide;4-chloro-6-(4-iodoanilino)-2-methylpyrimidine-5-carbonitrile;4,6-dichloro-2-methylpyrimidine-5-carbonitrile;ethaneperoxoic acid;2-formyl-4-(4-iodoanilino)-6-phenylmethoxypyrimidine-5-carbonitrile;hydride;4-iodoaniline;bis(4-(4-iodoanilino)-2-methyl-6-phenylmethoxypyrimidine-5-carbonitrile);methyliminophosphane;phenylmethanol;sulfur dioxide;hydrochloride?
sodium;(2R)-2-amino-4-methylpentanamide;4-chloro-6-(4-iodoanilino)-2-methylpyrimidine-5-carbonitrile;4,6-dichloro-2-methylpyrimidine-5-carbonitrile;ethaneperoxoic acid;2-formyl-4-(4-iodoanilino)-6-phenylmethoxypyrimidine-5-carbonitrile;hydride;4-iodoaniline;bis(4-(4-iodoanilino)-2-methyl-6-phenylmethoxypyrimidine-5-carbonitrile);methyliminophosphane;phenylmethanol;sulfur dioxide;hydrochloride has a molecular weight of 2618.32 g/mol, XLogP of 19.61, 22 rotatable bonds, 9 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;(2R)-2-amino-4-methylpentanamide;4-chloro-6-(4-iodoanilino)-2-methylpyrimidine-5-carbonitrile;4,6-dichloro-2-methylpyrimidine-5-carbonitrile;ethaneperoxoic acid;2-formyl-4-(4-iodoanilino)-6-phenylmethoxypyrimidine-5-carbonitrile;hydride;4-iodoaniline;bis(4-(4-iodoanilino)-2-methyl-6-phenylmethoxypyrimidine-5-carbonitrile);methyliminophosphane;phenylmethanol;sulfur dioxide;hydrochloride is sourced from PubChem (CID 162015114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).