N,N-dimethyl-1-(4-methylpyrimidin-5-yl)methanamine;2,4-dimethylpyridine;bis(2,4-dimethylpyrimidine);1-hydroxy-2,4-dimethylpyridin-1-ium;1-hydroxy-4-methylpyridin-1-ium;1-isocyano-3-methylbenzene;2-isocyano-4-methylpyridine;4-methyl-3-methylsulfonylpyridine;4-methyl-5-methylsulfonylpyrimidine;(3-methylphenyl)methanamine;O-[(3-methylphenyl)methyl]hydroxylamine;4-methylpyridin-2-amine;4-methylpyridine;4-methylpyridine-3-carboxamide;4-methylpyridine-3-sulfonamide;4-methyl-1H-pyridin-2-one;O-[(4-methyl-2-pyridinyl)methyl]hydroxylamine;4-methylpyrimidin-2-amine;4-methylpyrimidin-5-amine;6-methylpyrimidin-4-amine;4-methylpyrimidine;4-methylpyrimidine-5-carbonitrile;(4-methylpyrimidin-2-yl)methanamine;(4-methylpyrimidin-5-yl)methanamine;(6-methylpyrimidin-4-yl)methanamine;O-[(6-methylpyrimidin-4-yl)methyl]hydroxylamine;O-(pyrimidin-4-ylmethyl)hydroxylamine;N,N,4-trimethylpyridin-2-amine;N,N,6-trimethylpyrimidin-4-amine;1,3-xylene

C200H264N62O14S3+2 — CID 158124253

IUPACN,N-dimethyl-1-(4-methylpyrimidin-5-yl)methanamine;2,4-dimethylpyridine;bis(2,4-dimethylpyrimidine);1-hydroxy-2,4-dimethylpyridin-1-ium;1-hydroxy-4-methylpyridin-1-ium;1-isocyano-3-methylbenzene;2-isocyano-4-methylpyridine;4-methyl-3-methylsulfonylpyridine;4-methyl-5-methylsulfonylpyrimidine;(3-methylphenyl)methanamine;O-[(3-methylphenyl)methyl]hydroxylamine;4-methylpyridin-2-amine;4-methylpyridine;4-methylpyridine-3-carboxamide;4-methylpyridine-3-sulfonamide;4-methyl-1H-pyridin-2-one;O-[(4-methyl-2-pyridinyl)methyl]hydroxylamine;4-methylpyrimidin-2-amine;4-methylpyrimidin-5-amine;6-methylpyrimidin-4-amine;4-methylpyrimidine;4-methylpyrimidine-5-carbonitrile;(4-methylpyrimidin-2-yl)methanamine;(4-methylpyrimidin-5-yl)methanamine;(6-methylpyrimidin-4-yl)methanamine;O-[(6-methylpyrimidin-4-yl)methyl]hydroxylamine;O-(pyrimidin-4-ylmethyl)hydroxylamine;N,N,4-trimethylpyridin-2-amine;N,N,6-trimethylpyrimidin-4-amine;1,3-xylene
SMILESCc1cc(CN)ncn1.Cc1cc(CON)ncn1.Cc1cc(N(C)C)ncn1.Cc1cc(N)ncn1.Cc1cc[n+](O)c(C)c1.Cc1cc[n+](O)cc1.Cc1cc[nH]c(=O)c1.Cc1cccc(C)c1.Cc1cccc(CN)c1.Cc1cccc(CON)c1.Cc1ccnc(C)c1.Cc1ccnc(C)n1.Cc1ccnc(C)n1.Cc1ccnc(CN)n1.Cc1ccnc(CON)c1.Cc1ccnc(N(C)C)c1.Cc1ccnc(N)c1.Cc1ccnc(N)n1.Cc1ccncc1.Cc1ccncc1C(N)=O.Cc1ccncc1S(C)(=O)=O.Cc1ccncc1S(N)(=O)=O.Cc1ccncn1.Cc1ncncc1C#N.Cc1ncncc1CN.Cc1ncncc1CN(C)C.Cc1ncncc1N.Cc1ncncc1S(C)(=O)=O.NOCc1ccncn1.[C-]#[N+]c1cc(C)ccn1.[C-]#[N+]c1cccc(C)c1
InChIInChI=1S/C8H13N3.C8H12N2.C8H11NO.C8H7N.C8H11N.C8H10.C7H11N3.C7H10N2O.C7H8N2O.C7H6N2.C7H9NO2S.C7H10NO.C7H9N.C6H9N3O.C6H9N3.C6H5N3.2C6H9N3.2C6H8N2O2S.3C6H8N2.C6H8NO.C6H7NO.C6H7N.C5H7N3O.3C5H7N3.C5H6N2/c1-7-8(5-11(2)3)4-9-6-10-7;1-7-4-5-9-8(6-7)10(2)3;1-7-3-2-4-8(5-7)6-10-9;1-7-4-3-5-8(6-7)9-2;1-7-3-2-4-8(5-7)6-9;1-7-4-3-5-8(2)6-7;1-6-4-7(10(2)3)9-5-8-6;1-6-2-3-9-7(4-6)5-10-8;1-5-2-3-9-4-6(5)7(8)10;1-6-3-4-9-7(5-6)8-2;1-6-3-4-8-5-7(6)11(2,9)10;1-6-3-4-8(9)7(2)5-6;1-6-3-4-8-7(2)5-6;1-5-2-6(3-10-7)9-4-8-5;2*1-5-6(2-7)3-8-4-9-5;1-5-2-6(3-7)9-4-8-5;1-5-2-3-8-6(4-7)9-5;1-5-6(11(2,9)10)3-7-4-8-5;1-5-2-3-8-4-6(5)11(7,9)10;2*1-5-3-4-7-6(2)8-5;1-5-2-3-8-6(7)4-5;1-6-2-4-7(8)5-3-6;1-5-2-3-7-6(8)4-5;1-6-2-4-7-5-3-6;6-9-3-5-1-2-7-4-8-5;1-4-5(6)2-7-3-8-4;1-4-2-5(6)8-3-7-4;1-4-2-3-7-5(6)8-4;1-5-2-3-6-4-7-5/h4,6H,5H2,1-3H3;4-6H,1-3H3;2-5H,6,9H2,1H3;3-6H,1H3;2-5H,6,9H2,1H3;3-6H,1-2H3;4-5H,1-3H3;2-4H,5,8H2,1H3;2-4H,1H3,(H2,8,10);3-5H,1H3;3-5H,1-2H3;3-5,9H,1-2H3;3-5H,1-2H3;2,4H,3,7H2,1H3;3-4H,2,7H2,1H3;3-4H,1H3;2,4H,3,7H2,1H3;2-3H,4,7H2,1H3;3-4H,1-2H3;2-4H,1H3,(H2,7,9,10);2*3-4H,1-2H3;2-4H,1H3,(H2,7,8);2-5,8H,1H3;2-4H,1H3,(H,7,8);2-5H,1H3;1-2,4H,3,6H2;2-3H,6H2,1H3;2*2-3H,1H3,(H2,6,7,8);2-4H,1H3/q;;;;;;;;;;;+1;;;;;;;;;;;;+1;;;;;;;
InChIKeySAMNZYLFEAKEJL-UHFFFAOYSA-N
MW3856.93 g/mol
LogP26.67
Rot. Bonds20

About N,N-dimethyl-1-(4-methylpyrimidin-5-yl)methanamine;2,4-dimethylpyridine;bis(2,4-dimethylpyrimidine);1-hydroxy-2,4-dimethylpyridin-1-ium;1-hydroxy-4-methylpyridin-1-ium;1-isocyano-3-methylbenzene;2-isocyano-4-methylpyridine;4-methyl-3-methylsulfonylpyridine;4-methyl-5-methylsulfonylpyrimidine;(3-methylphenyl)methanamine;O-[(3-methylphenyl)methyl]hydroxylamine;4-methylpyridin-2-amine;4-methylpyridine;4-methylpyridine-3-carboxamide;4-methylpyridine-3-sulfonamide;4-methyl-1H-pyridin-2-one;O-[(4-methyl-2-pyridinyl)methyl]hydroxylamine;4-methylpyrimidin-2-amine;4-methylpyrimidin-5-amine;6-methylpyrimidin-4-amine;4-methylpyrimidine;4-methylpyrimidine-5-carbonitrile;(4-methylpyrimidin-2-yl)methanamine;(4-methylpyrimidin-5-yl)methanamine;(6-methylpyrimidin-4-yl)methanamine;O-[(6-methylpyrimidin-4-yl)methyl]hydroxylamine;O-(pyrimidin-4-ylmethyl)hydroxylamine;N,N,4-trimethylpyridin-2-amine;N,N,6-trimethylpyrimidin-4-amine;1,3-xylene

N,N-dimethyl-1-(4-methylpyrimidin-5-yl)methanamine;2,4-dimethylpyridine;bis(2,4-dimethylpyrimidine);1-hydroxy-2,4-dimethylpyridin-1-ium;1-hydroxy-4-methylpyridin-1-ium;1-isocyano-3-methylbenzene;2-isocyano-4-methylpyridine;4-methyl-3-methylsulfonylpyridine;4-methyl-5-methylsulfonylpyrimidine;(3-methylphenyl)methanamine;O-[(3-methylphenyl)methyl]hydroxylamine;4-methylpyridin-2-amine;4-methylpyridine;4-methylpyridine-3-carboxamide;4-methylpyridine-3-sulfonamide;4-methyl-1H-pyridin-2-one;O-[(4-methyl-2-pyridinyl)methyl]hydroxylamine;4-methylpyrimidin-2-amine;4-methylpyrimidin-5-amine;6-methylpyrimidin-4-amine;4-methylpyrimidine;4-methylpyrimidine-5-carbonitrile;(4-methylpyrimidin-2-yl)methanamine;(4-methylpyrimidin-5-yl)methanamine;(6-methylpyrimidin-4-yl)methanamine;O-[(6-methylpyrimidin-4-yl)methyl]hydroxylamine;O-(pyrimidin-4-ylmethyl)hydroxylamine;N,N,4-trimethylpyridin-2-amine;N,N,6-trimethylpyrimidin-4-amine;1,3-xylene (PubChem CID 158124253) has the molecular formula C200H264N62O14S3+2 and a molecular weight of 3856.93 g/mol. Its IUPAC name is N,N-dimethyl-1-(4-methylpyrimidin-5-yl)methanamine;2,4-dimethylpyridine;bis(2,4-dimethylpyrimidine);1-hydroxy-2,4-dimethylpyridin-1-ium;1-hydroxy-4-methylpyridin-1-ium;1-isocyano-3-methylbenzene;2-isocyano-4-methylpyridine;4-methyl-3-methylsulfonylpyridine;4-methyl-5-methylsulfonylpyrimidine;(3-methylphenyl)methanamine;O-[(3-methylphenyl)methyl]hydroxylamine;4-methylpyridin-2-amine;4-methylpyridine;4-methylpyridine-3-carboxamide;4-methylpyridine-3-sulfonamide;4-methyl-1H-pyridin-2-one;O-[(4-methyl-2-pyridinyl)methyl]hydroxylamine;4-methylpyrimidin-2-amine;4-methylpyrimidin-5-amine;6-methylpyrimidin-4-amine;4-methylpyrimidine;4-methylpyrimidine-5-carbonitrile;(4-methylpyrimidin-2-yl)methanamine;(4-methylpyrimidin-5-yl)methanamine;(6-methylpyrimidin-4-yl)methanamine;O-[(6-methylpyrimidin-4-yl)methyl]hydroxylamine;O-(pyrimidin-4-ylmethyl)hydroxylamine;N,N,4-trimethylpyridin-2-amine;N,N,6-trimethylpyrimidin-4-amine;1,3-xylene.

Molecular Properties

Compound NameN,N-dimethyl-1-(4-methylpyrimidin-5-yl)methanamine;2,4-dimethylpyridine;bis(2,4-dimethylpyrimidine);1-hydroxy-2,4-dimethylpyridin-1-ium;1-hydroxy-4-methylpyridin-1-ium;1-isocyano-3-methylbenzene;2-isocyano-4-methylpyridine;4-methyl-3-methylsulfonylpyridine;4-methyl-5-methylsulfonylpyrimidine;(3-methylphenyl)methanamine;O-[(3-methylphenyl)methyl]hydroxylamine;4-methylpyridin-2-amine;4-methylpyridine;4-methylpyridine-3-carboxamide;4-methylpyridine-3-sulfonamide;4-methyl-1H-pyridin-2-one;O-[(4-methyl-2-pyridinyl)methyl]hydroxylamine;4-methylpyrimidin-2-amine;4-methylpyrimidin-5-amine;6-methylpyrimidin-4-amine;4-methylpyrimidine;4-methylpyrimidine-5-carbonitrile;(4-methylpyrimidin-2-yl)methanamine;(4-methylpyrimidin-5-yl)methanamine;(6-methylpyrimidin-4-yl)methanamine;O-[(6-methylpyrimidin-4-yl)methyl]hydroxylamine;O-(pyrimidin-4-ylmethyl)hydroxylamine;N,N,4-trimethylpyridin-2-amine;N,N,6-trimethylpyrimidin-4-amine;1,3-xylene
PubChem CID158124253
Molecular FormulaC200H264N62O14S3+2
Molecular Weight3856.93 g/mol
Exact Mass3854.10
IUPAC NameN,N-dimethyl-1-(4-methylpyrimidin-5-yl)methanamine;2,4-dimethylpyridine;bis(2,4-dimethylpyrimidine);1-hydroxy-2,4-dimethylpyridin-1-ium;1-hydroxy-4-methylpyridin-1-ium;1-isocyano-3-methylbenzene;2-isocyano-4-methylpyridine;4-methyl-3-methylsulfonylpyridine;4-methyl-5-methylsulfonylpyrimidine;(3-methylphenyl)methanamine;O-[(3-methylphenyl)methyl]hydroxylamine;4-methylpyridin-2-amine;4-methylpyridine;4-methylpyridine-3-carboxamide;4-methylpyridine-3-sulfonamide;4-methyl-1H-pyridin-2-one;O-[(4-methyl-2-pyridinyl)methyl]hydroxylamine;4-methylpyrimidin-2-amine;4-methylpyrimidin-5-amine;6-methylpyrimidin-4-amine;4-methylpyrimidine;4-methylpyrimidine-5-carbonitrile;(4-methylpyrimidin-2-yl)methanamine;(4-methylpyrimidin-5-yl)methanamine;(6-methylpyrimidin-4-yl)methanamine;O-[(6-methylpyrimidin-4-yl)methyl]hydroxylamine;O-(pyrimidin-4-ylmethyl)hydroxylamine;N,N,4-trimethylpyridin-2-amine;N,N,6-trimethylpyrimidin-4-amine;1,3-xylene
SMILESCc1cc(CN)ncn1.Cc1cc(CON)ncn1.Cc1cc(N(C)C)ncn1.Cc1cc(N)ncn1.Cc1cc[n+](O)c(C)c1.Cc1cc[n+](O)cc1.Cc1cc[nH]c(=O)c1.Cc1cccc(C)c1.Cc1cccc(CN)c1.Cc1cccc(CON)c1.Cc1ccnc(C)c1.Cc1ccnc(C)n1.Cc1ccnc(C)n1.Cc1ccnc(CN)n1.Cc1ccnc(CON)c1.Cc1ccnc(N(C)C)c1.Cc1ccnc(N)c1.Cc1ccnc(N)n1.Cc1ccncc1.Cc1ccncc1C(N)=O.Cc1ccncc1S(C)(=O)=O.Cc1ccncc1S(N)(=O)=O.Cc1ccncn1.Cc1ncncc1C#N.Cc1ncncc1CN.Cc1ncncc1CN(C)C.Cc1ncncc1N.Cc1ncncc1S(C)(=O)=O.NOCc1ccncn1.[C-]#[N+]c1cc(C)ccn1.[C-]#[N+]c1cccc(C)c1
InChIInChI=1S/C8H13N3.C8H12N2.C8H11NO.C8H7N.C8H11N.C8H10.C7H11N3.C7H10N2O.C7H8N2O.C7H6N2.C7H9NO2S.C7H10NO.C7H9N.C6H9N3O.C6H9N3.C6H5N3.2C6H9N3.2C6H8N2O2S.3C6H8N2.C6H8NO.C6H7NO.C6H7N.C5H7N3O.3C5H7N3.C5H6N2/c1-7-8(5-11(2)3)4-9-6-10-7;1-7-4-5-9-8(6-7)10(2)3;1-7-3-2-4-8(5-7)6-10-9;1-7-4-3-5-8(6-7)9-2;1-7-3-2-4-8(5-7)6-9;1-7-4-3-5-8(2)6-7;1-6-4-7(10(2)3)9-5-8-6;1-6-2-3-9-7(4-6)5-10-8;1-5-2-3-9-4-6(5)7(8)10;1-6-3-4-9-7(5-6)8-2;1-6-3-4-8-5-7(6)11(2,9)10;1-6-3-4-8(9)7(2)5-6;1-6-3-4-8-7(2)5-6;1-5-2-6(3-10-7)9-4-8-5;2*1-5-6(2-7)3-8-4-9-5;1-5-2-6(3-7)9-4-8-5;1-5-2-3-8-6(4-7)9-5;1-5-6(11(2,9)10)3-7-4-8-5;1-5-2-3-8-4-6(5)11(7,9)10;2*1-5-3-4-7-6(2)8-5;1-5-2-3-8-6(7)4-5;1-6-2-4-7(8)5-3-6;1-5-2-3-7-6(8)4-5;1-6-2-4-7-5-3-6;6-9-3-5-1-2-7-4-8-5;1-4-5(6)2-7-3-8-4;1-4-2-5(6)8-3-7-4;1-4-2-3-7-5(6)8-4;1-5-2-3-6-4-7-5/h4,6H,5H2,1-3H3;4-6H,1-3H3;2-5H,6,9H2,1H3;3-6H,1H3;2-5H,6,9H2,1H3;3-6H,1-2H3;4-5H,1-3H3;2-4H,5,8H2,1H3;2-4H,1H3,(H2,8,10);3-5H,1H3;3-5H,1-2H3;3-5,9H,1-2H3;3-5H,1-2H3;2,4H,3,7H2,1H3;3-4H,2,7H2,1H3;3-4H,1H3;2,4H,3,7H2,1H3;2-3H,4,7H2,1H3;3-4H,1-2H3;2-4H,1H3,(H2,7,9,10);2*3-4H,1-2H3;2-4H,1H3,(H2,7,8);2-5,8H,1H3;2-4H,1H3,(H,7,8);2-5H,1H3;1-2,4H,3,6H2;2-3H,6H2,1H3;2*2-3H,1H3,(H2,6,7,8);2-4H,1H3/q;;;;;;;;;;;+1;;;;;;;;;;;;+1;;;;;;;
InChIKeySAMNZYLFEAKEJL-UHFFFAOYSA-N
XLogP26.67
TPSA1146.71 Ų
H-Bond Donors17
H-Bond Acceptors69
Rotatable Bonds20
Heavy Atoms279
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003856.93
LogP ≤ 526.67
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1069

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze N,N-dimethyl-1-(4-methylpyrimidin-5-yl)methanamine;2,4-dimethylpyridine;bis(2,4-dimethylpyrimidine);1-hydroxy-2,4-dimethylpyridin-1-ium;1-hydroxy-4-methylpyridin-1-ium;1-isocyano-3-methylbenzene;2-isocyano-4-methylpyridine;4-methyl-3-methylsulfonylpyridine;4-methyl-5-methylsulfonylpyrimidine;(3-methylphenyl)methanamine;O-[(3-methylphenyl)methyl]hydroxylamine;4-methylpyridin-2-amine;4-methylpyridine;4-methylpyridine-3-carboxamide;4-methylpyridine-3-sulfonamide;4-methyl-1H-pyridin-2-one;O-[(4-methyl-2-pyridinyl)methyl]hydroxylamine;4-methylpyrimidin-2-amine;4-methylpyrimidin-5-amine;6-methylpyrimidin-4-amine;4-methylpyrimidine;4-methylpyrimidine-5-carbonitrile;(4-methylpyrimidin-2-yl)methanamine;(4-methylpyrimidin-5-yl)methanamine;(6-methylpyrimidin-4-yl)methanamine;O-[(6-methylpyrimidin-4-yl)methyl]hydroxylamine;O-(pyrimidin-4-ylmethyl)hydroxylamine;N,N,4-trimethylpyridin-2-amine;N,N,6-trimethylpyrimidin-4-amine;1,3-xylene with MolForge

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(4-methylpyrimidin-5-yl)methanamine;2,4-dimethylpyridine;bis(2,4-dimethylpyrimidine);1-hydroxy-2,4-dimethylpyridin-1-ium;1-hydroxy-4-methylpyridin-1-ium;1-isocyano-3-methylbenzene;2-isocyano-4-methylpyridine;4-methyl-3-methylsulfonylpyridine;4-methyl-5-methylsulfonylpyrimidine;(3-methylphenyl)methanamine;O-[(3-methylphenyl)methyl]hydroxylamine;4-methylpyridin-2-amine;4-methylpyridine;4-methylpyridine-3-carboxamide;4-methylpyridine-3-sulfonamide;4-methyl-1H-pyridin-2-one;O-[(4-methyl-2-pyridinyl)methyl]hydroxylamine;4-methylpyrimidin-2-amine;4-methylpyrimidin-5-amine;6-methylpyrimidin-4-amine;4-methylpyrimidine;4-methylpyrimidine-5-carbonitrile;(4-methylpyrimidin-2-yl)methanamine;(4-methylpyrimidin-5-yl)methanamine;(6-methylpyrimidin-4-yl)methanamine;O-[(6-methylpyrimidin-4-yl)methyl]hydroxylamine;O-(pyrimidin-4-ylmethyl)hydroxylamine;N,N,4-trimethylpyridin-2-amine;N,N,6-trimethylpyrimidin-4-amine;1,3-xylene?
The IUPAC name of N,N-dimethyl-1-(4-methylpyrimidin-5-yl)methanamine;2,4-dimethylpyridine;bis(2,4-dimethylpyrimidine);1-hydroxy-2,4-dimethylpyridin-1-ium;1-hydroxy-4-methylpyridin-1-ium;1-isocyano-3-methylbenzene;2-isocyano-4-methylpyridine;4-methyl-3-methylsulfonylpyridine;4-methyl-5-methylsulfonylpyrimidine;(3-methylphenyl)methanamine;O-[(3-methylphenyl)methyl]hydroxylamine;4-methylpyridin-2-amine;4-methylpyridine;4-methylpyridine-3-carboxamide;4-methylpyridine-3-sulfonamide;4-methyl-1H-pyridin-2-one;O-[(4-methyl-2-pyridinyl)methyl]hydroxylamine;4-methylpyrimidin-2-amine;4-methylpyrimidin-5-amine;6-methylpyrimidin-4-amine;4-methylpyrimidine;4-methylpyrimidine-5-carbonitrile;(4-methylpyrimidin-2-yl)methanamine;(4-methylpyrimidin-5-yl)methanamine;(6-methylpyrimidin-4-yl)methanamine;O-[(6-methylpyrimidin-4-yl)methyl]hydroxylamine;O-(pyrimidin-4-ylmethyl)hydroxylamine;N,N,4-trimethylpyridin-2-amine;N,N,6-trimethylpyrimidin-4-amine;1,3-xylene (CID 158124253) is N,N-dimethyl-1-(4-methylpyrimidin-5-yl)methanamine;2,4-dimethylpyridine;bis(2,4-dimethylpyrimidine);1-hydroxy-2,4-dimethylpyridin-1-ium;1-hydroxy-4-methylpyridin-1-ium;1-isocyano-3-methylbenzene;2-isocyano-4-methylpyridine;4-methyl-3-methylsulfonylpyridine;4-methyl-5-methylsulfonylpyrimidine;(3-methylphenyl)methanamine;O-[(3-methylphenyl)methyl]hydroxylamine;4-methylpyridin-2-amine;4-methylpyridine;4-methylpyridine-3-carboxamide;4-methylpyridine-3-sulfonamide;4-methyl-1H-pyridin-2-one;O-[(4-methyl-2-pyridinyl)methyl]hydroxylamine;4-methylpyrimidin-2-amine;4-methylpyrimidin-5-amine;6-methylpyrimidin-4-amine;4-methylpyrimidine;4-methylpyrimidine-5-carbonitrile;(4-methylpyrimidin-2-yl)methanamine;(4-methylpyrimidin-5-yl)methanamine;(6-methylpyrimidin-4-yl)methanamine;O-[(6-methylpyrimidin-4-yl)methyl]hydroxylamine;O-(pyrimidin-4-ylmethyl)hydroxylamine;N,N,4-trimethylpyridin-2-amine;N,N,6-trimethylpyrimidin-4-amine;1,3-xylene.
What is the SMILES notation for N,N-dimethyl-1-(4-methylpyrimidin-5-yl)methanamine;2,4-dimethylpyridine;bis(2,4-dimethylpyrimidine);1-hydroxy-2,4-dimethylpyridin-1-ium;1-hydroxy-4-methylpyridin-1-ium;1-isocyano-3-methylbenzene;2-isocyano-4-methylpyridine;4-methyl-3-methylsulfonylpyridine;4-methyl-5-methylsulfonylpyrimidine;(3-methylphenyl)methanamine;O-[(3-methylphenyl)methyl]hydroxylamine;4-methylpyridin-2-amine;4-methylpyridine;4-methylpyridine-3-carboxamide;4-methylpyridine-3-sulfonamide;4-methyl-1H-pyridin-2-one;O-[(4-methyl-2-pyridinyl)methyl]hydroxylamine;4-methylpyrimidin-2-amine;4-methylpyrimidin-5-amine;6-methylpyrimidin-4-amine;4-methylpyrimidine;4-methylpyrimidine-5-carbonitrile;(4-methylpyrimidin-2-yl)methanamine;(4-methylpyrimidin-5-yl)methanamine;(6-methylpyrimidin-4-yl)methanamine;O-[(6-methylpyrimidin-4-yl)methyl]hydroxylamine;O-(pyrimidin-4-ylmethyl)hydroxylamine;N,N,4-trimethylpyridin-2-amine;N,N,6-trimethylpyrimidin-4-amine;1,3-xylene?
The canonical SMILES for N,N-dimethyl-1-(4-methylpyrimidin-5-yl)methanamine;2,4-dimethylpyridine;bis(2,4-dimethylpyrimidine);1-hydroxy-2,4-dimethylpyridin-1-ium;1-hydroxy-4-methylpyridin-1-ium;1-isocyano-3-methylbenzene;2-isocyano-4-methylpyridine;4-methyl-3-methylsulfonylpyridine;4-methyl-5-methylsulfonylpyrimidine;(3-methylphenyl)methanamine;O-[(3-methylphenyl)methyl]hydroxylamine;4-methylpyridin-2-amine;4-methylpyridine;4-methylpyridine-3-carboxamide;4-methylpyridine-3-sulfonamide;4-methyl-1H-pyridin-2-one;O-[(4-methyl-2-pyridinyl)methyl]hydroxylamine;4-methylpyrimidin-2-amine;4-methylpyrimidin-5-amine;6-methylpyrimidin-4-amine;4-methylpyrimidine;4-methylpyrimidine-5-carbonitrile;(4-methylpyrimidin-2-yl)methanamine;(4-methylpyrimidin-5-yl)methanamine;(6-methylpyrimidin-4-yl)methanamine;O-[(6-methylpyrimidin-4-yl)methyl]hydroxylamine;O-(pyrimidin-4-ylmethyl)hydroxylamine;N,N,4-trimethylpyridin-2-amine;N,N,6-trimethylpyrimidin-4-amine;1,3-xylene is Cc1cc(CN)ncn1.Cc1cc(CON)ncn1.Cc1cc(N(C)C)ncn1.Cc1cc(N)ncn1.Cc1cc[n+](O)c(C)c1.Cc1cc[n+](O)cc1.Cc1cc[nH]c(=O)c1.Cc1cccc(C)c1.Cc1cccc(CN)c1.Cc1cccc(CON)c1.Cc1ccnc(C)c1.Cc1ccnc(C)n1.Cc1ccnc(C)n1.Cc1ccnc(CN)n1.Cc1ccnc(CON)c1.Cc1ccnc(N(C)C)c1.Cc1ccnc(N)c1.Cc1ccnc(N)n1.Cc1ccncc1.Cc1ccncc1C(N)=O.Cc1ccncc1S(C)(=O)=O.Cc1ccncc1S(N)(=O)=O.Cc1ccncn1.Cc1ncncc1C#N.Cc1ncncc1CN.Cc1ncncc1CN(C)C.Cc1ncncc1N.Cc1ncncc1S(C)(=O)=O.NOCc1ccncn1.[C-]#[N+]c1cc(C)ccn1.[C-]#[N+]c1cccc(C)c1.
What is the InChIKey of N,N-dimethyl-1-(4-methylpyrimidin-5-yl)methanamine;2,4-dimethylpyridine;bis(2,4-dimethylpyrimidine);1-hydroxy-2,4-dimethylpyridin-1-ium;1-hydroxy-4-methylpyridin-1-ium;1-isocyano-3-methylbenzene;2-isocyano-4-methylpyridine;4-methyl-3-methylsulfonylpyridine;4-methyl-5-methylsulfonylpyrimidine;(3-methylphenyl)methanamine;O-[(3-methylphenyl)methyl]hydroxylamine;4-methylpyridin-2-amine;4-methylpyridine;4-methylpyridine-3-carboxamide;4-methylpyridine-3-sulfonamide;4-methyl-1H-pyridin-2-one;O-[(4-methyl-2-pyridinyl)methyl]hydroxylamine;4-methylpyrimidin-2-amine;4-methylpyrimidin-5-amine;6-methylpyrimidin-4-amine;4-methylpyrimidine;4-methylpyrimidine-5-carbonitrile;(4-methylpyrimidin-2-yl)methanamine;(4-methylpyrimidin-5-yl)methanamine;(6-methylpyrimidin-4-yl)methanamine;O-[(6-methylpyrimidin-4-yl)methyl]hydroxylamine;O-(pyrimidin-4-ylmethyl)hydroxylamine;N,N,4-trimethylpyridin-2-amine;N,N,6-trimethylpyrimidin-4-amine;1,3-xylene?
The InChIKey is SAMNZYLFEAKEJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3.C8H12N2.C8H11NO.C8H7N.C8H11N.C8H10.C7H11N3.C7H10N2O.C7H8N2O.C7H6N2.C7H9NO2S.C7H10NO.C7H9N.C6H9N3O.C6H9N3.C6H5N3.2C6H9N3.2C6H8N2O2S.3C6H8N2.C6H8NO.C6H7NO.C6H7N.C5H7N3O.3C5H7N3.C5H6N2/c1-7-8(5-11(2)3)4-9-6-10-7;1-7-4-5-9-8(6-7)10(2)3;1-7-3-2-4-8(5-7)6-10-9;1-7-4-3-5-8(6-7)9-2;1-7-3-2-4-8(5-7)6-9;1-7-4-3-5-8(2)6-7;1-6-4-7(10(2)3)9-5-8-6;1-6-2-3-9-7(4-6)5-10-8;1-5-2-3-9-4-6(5)7(8)10;1-6-3-4-9-7(5-6)8-2;1-6-3-4-8-5-7(6)11(2,9)10;1-6-3-4-8(9)7(2)5-6;1-6-3-4-8-7(2)5-6;1-5-2-6(3-10-7)9-4-8-5;2*1-5-6(2-7)3-8-4-9-5;1-5-2-6(3-7)9-4-8-5;1-5-2-3-8-6(4-7)9-5;1-5-6(11(2,9)10)3-7-4-8-5;1-5-2-3-8-4-6(5)11(7,9)10;2*1-5-3-4-7-6(2)8-5;1-5-2-3-8-6(7)4-5;1-6-2-4-7(8)5-3-6;1-5-2-3-7-6(8)4-5;1-6-2-4-7-5-3-6;6-9-3-5-1-2-7-4-8-5;1-4-5(6)2-7-3-8-4;1-4-2-5(6)8-3-7-4;1-4-2-3-7-5(6)8-4;1-5-2-3-6-4-7-5/h4,6H,5H2,1-3H3;4-6H,1-3H3;2-5H,6,9H2,1H3;3-6H,1H3;2-5H,6,9H2,1H3;3-6H,1-2H3;4-5H,1-3H3;2-4H,5,8H2,1H3;2-4H,1H3,(H2,8,10);3-5H,1H3;3-5H,1-2H3;3-5,9H,1-2H3;3-5H,1-2H3;2,4H,3,7H2,1H3;3-4H,2,7H2,1H3;3-4H,1H3;2,4H,3,7H2,1H3;2-3H,4,7H2,1H3;3-4H,1-2H3;2-4H,1H3,(H2,7,9,10);2*3-4H,1-2H3;2-4H,1H3,(H2,7,8);2-5,8H,1H3;2-4H,1H3,(H,7,8);2-5H,1H3;1-2,4H,3,6H2;2-3H,6H2,1H3;2*2-3H,1H3,(H2,6,7,8);2-4H,1H3/q;;;;;;;;;;;+1;;;;;;;;;;;;+1;;;;;;;.
What are the key properties of N,N-dimethyl-1-(4-methylpyrimidin-5-yl)methanamine;2,4-dimethylpyridine;bis(2,4-dimethylpyrimidine);1-hydroxy-2,4-dimethylpyridin-1-ium;1-hydroxy-4-methylpyridin-1-ium;1-isocyano-3-methylbenzene;2-isocyano-4-methylpyridine;4-methyl-3-methylsulfonylpyridine;4-methyl-5-methylsulfonylpyrimidine;(3-methylphenyl)methanamine;O-[(3-methylphenyl)methyl]hydroxylamine;4-methylpyridin-2-amine;4-methylpyridine;4-methylpyridine-3-carboxamide;4-methylpyridine-3-sulfonamide;4-methyl-1H-pyridin-2-one;O-[(4-methyl-2-pyridinyl)methyl]hydroxylamine;4-methylpyrimidin-2-amine;4-methylpyrimidin-5-amine;6-methylpyrimidin-4-amine;4-methylpyrimidine;4-methylpyrimidine-5-carbonitrile;(4-methylpyrimidin-2-yl)methanamine;(4-methylpyrimidin-5-yl)methanamine;(6-methylpyrimidin-4-yl)methanamine;O-[(6-methylpyrimidin-4-yl)methyl]hydroxylamine;O-(pyrimidin-4-ylmethyl)hydroxylamine;N,N,4-trimethylpyridin-2-amine;N,N,6-trimethylpyrimidin-4-amine;1,3-xylene?
N,N-dimethyl-1-(4-methylpyrimidin-5-yl)methanamine;2,4-dimethylpyridine;bis(2,4-dimethylpyrimidine);1-hydroxy-2,4-dimethylpyridin-1-ium;1-hydroxy-4-methylpyridin-1-ium;1-isocyano-3-methylbenzene;2-isocyano-4-methylpyridine;4-methyl-3-methylsulfonylpyridine;4-methyl-5-methylsulfonylpyrimidine;(3-methylphenyl)methanamine;O-[(3-methylphenyl)methyl]hydroxylamine;4-methylpyridin-2-amine;4-methylpyridine;4-methylpyridine-3-carboxamide;4-methylpyridine-3-sulfonamide;4-methyl-1H-pyridin-2-one;O-[(4-methyl-2-pyridinyl)methyl]hydroxylamine;4-methylpyrimidin-2-amine;4-methylpyrimidin-5-amine;6-methylpyrimidin-4-amine;4-methylpyrimidine;4-methylpyrimidine-5-carbonitrile;(4-methylpyrimidin-2-yl)methanamine;(4-methylpyrimidin-5-yl)methanamine;(6-methylpyrimidin-4-yl)methanamine;O-[(6-methylpyrimidin-4-yl)methyl]hydroxylamine;O-(pyrimidin-4-ylmethyl)hydroxylamine;N,N,4-trimethylpyridin-2-amine;N,N,6-trimethylpyrimidin-4-amine;1,3-xylene has a molecular weight of 3856.93 g/mol, XLogP of 26.67, 20 rotatable bonds, 17 hydrogen bond donors, and 69 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(4-methylpyrimidin-5-yl)methanamine;2,4-dimethylpyridine;bis(2,4-dimethylpyrimidine);1-hydroxy-2,4-dimethylpyridin-1-ium;1-hydroxy-4-methylpyridin-1-ium;1-isocyano-3-methylbenzene;2-isocyano-4-methylpyridine;4-methyl-3-methylsulfonylpyridine;4-methyl-5-methylsulfonylpyrimidine;(3-methylphenyl)methanamine;O-[(3-methylphenyl)methyl]hydroxylamine;4-methylpyridin-2-amine;4-methylpyridine;4-methylpyridine-3-carboxamide;4-methylpyridine-3-sulfonamide;4-methyl-1H-pyridin-2-one;O-[(4-methyl-2-pyridinyl)methyl]hydroxylamine;4-methylpyrimidin-2-amine;4-methylpyrimidin-5-amine;6-methylpyrimidin-4-amine;4-methylpyrimidine;4-methylpyrimidine-5-carbonitrile;(4-methylpyrimidin-2-yl)methanamine;(4-methylpyrimidin-5-yl)methanamine;(6-methylpyrimidin-4-yl)methanamine;O-[(6-methylpyrimidin-4-yl)methyl]hydroxylamine;O-(pyrimidin-4-ylmethyl)hydroxylamine;N,N,4-trimethylpyridin-2-amine;N,N,6-trimethylpyrimidin-4-amine;1,3-xylene is sourced from PubChem (CID 158124253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).