6-(3-chloro-2-methylphenyl)-4-N-[(2E)-3,7-dimethylocta-2,6-dienyl]pyrimidine-2,4-diamine;6-(3-chloro-2-methylphenyl)-4-N-(2-methylpropyl)pyrimidine-2,4-diamine;4-(3-chloro-2-methylphenyl)-6-[2-(oxolan-2-yl)ethyl]pyrimidin-2-amine;ethyl 4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzoate;methyl 4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzoate;propyl 4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzoate

C120H136Cl6N22O7 — CID 158966266

IUPAC6-(3-chloro-2-methylphenyl)-4-N-[(2E)-3,7-dimethylocta-2,6-dienyl]pyrimidine-2,4-diamine;6-(3-chloro-2-methylphenyl)-4-N-(2-methylpropyl)pyrimidine-2,4-diamine;4-(3-chloro-2-methylphenyl)-6-[2-(oxolan-2-yl)ethyl]pyrimidin-2-amine;ethyl 4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzoate;methyl 4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzoate;propyl 4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzoate
SMILESCC(C)=CCC/C(C)=C/CNc1cc(-c2cccc(Cl)c2C)nc(N)n1.CCCOC(=O)c1ccc(CCNc2cc(-c3cccc(Cl)c3C)nc(N)n2)cc1.CCOC(=O)c1ccc(CCCc2cc(-c3cccc(Cl)c3C)nc(N)n2)cc1.COC(=O)c1ccc(CCNc2cc(-c3cccc(Cl)c3C)nc(N)n2)cc1.Cc1c(Cl)cccc1-c1cc(CCC2CCCO2)nc(N)n1.Cc1c(Cl)cccc1-c1cc(NCC(C)C)nc(N)n1
InChIInChI=1S/C23H25ClN4O2.C23H24ClN3O2.C21H21ClN4O2.C21H27ClN4.C17H20ClN3O.C15H19ClN4/c1-3-13-30-22(29)17-9-7-16(8-10-17)11-12-26-21-14-20(27-23(25)28-21)18-5-4-6-19(24)15(18)2;1-3-29-22(28)17-12-10-16(11-13-17)6-4-7-18-14-21(27-23(25)26-18)19-8-5-9-20(24)15(19)2;1-13-16(4-3-5-17(13)22)18-12-19(26-21(23)25-18)24-11-10-14-6-8-15(9-7-14)20(27)28-2;1-14(2)7-5-8-15(3)11-12-24-20-13-19(25-21(23)26-20)17-9-6-10-18(22)16(17)4;1-11-14(5-2-6-15(11)18)16-10-12(20-17(19)21-16)7-8-13-4-3-9-22-13;1-9(2)8-18-14-7-13(19-15(17)20-14)11-5-4-6-12(16)10(11)3/h4-10,14H,3,11-13H2,1-2H3,(H3,25,26,27,28);5,8-14H,3-4,6-7H2,1-2H3,(H2,25,26,27);3-9,12H,10-11H2,1-2H3,(H3,23,24,25,26);6-7,9-11,13H,5,8,12H2,1-4H3,(H3,23,24,25,26);2,5-6,10,13H,3-4,7-9H2,1H3,(H2,19,20,21);4-7,9H,8H2,1-3H3,(H3,17,18,19,20)/b;;;15-11+;;
InChIKeyJNFYMJTXGGMSIN-SROJISHSSA-N
MW2211.27 g/mol
LogP27.42
Rot. Bonds36

About 6-(3-chloro-2-methylphenyl)-4-N-[(2E)-3,7-dimethylocta-2,6-dienyl]pyrimidine-2,4-diamine;6-(3-chloro-2-methylphenyl)-4-N-(2-methylpropyl)pyrimidine-2,4-diamine;4-(3-chloro-2-methylphenyl)-6-[2-(oxolan-2-yl)ethyl]pyrimidin-2-amine;ethyl 4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzoate;methyl 4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzoate;propyl 4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzoate

6-(3-chloro-2-methylphenyl)-4-N-[(2E)-3,7-dimethylocta-2,6-dienyl]pyrimidine-2,4-diamine;6-(3-chloro-2-methylphenyl)-4-N-(2-methylpropyl)pyrimidine-2,4-diamine;4-(3-chloro-2-methylphenyl)-6-[2-(oxolan-2-yl)ethyl]pyrimidin-2-amine;ethyl 4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzoate;methyl 4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzoate;propyl 4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzoate (PubChem CID 158966266) has the molecular formula C120H136Cl6N22O7 and a molecular weight of 2211.27 g/mol. Its IUPAC name is 6-(3-chloro-2-methylphenyl)-4-N-[(2E)-3,7-dimethylocta-2,6-dienyl]pyrimidine-2,4-diamine;6-(3-chloro-2-methylphenyl)-4-N-(2-methylpropyl)pyrimidine-2,4-diamine;4-(3-chloro-2-methylphenyl)-6-[2-(oxolan-2-yl)ethyl]pyrimidin-2-amine;ethyl 4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzoate;methyl 4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzoate;propyl 4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzoate.

Molecular Properties

Compound Name6-(3-chloro-2-methylphenyl)-4-N-[(2E)-3,7-dimethylocta-2,6-dienyl]pyrimidine-2,4-diamine;6-(3-chloro-2-methylphenyl)-4-N-(2-methylpropyl)pyrimidine-2,4-diamine;4-(3-chloro-2-methylphenyl)-6-[2-(oxolan-2-yl)ethyl]pyrimidin-2-amine;ethyl 4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzoate;methyl 4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzoate;propyl 4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzoate
PubChem CID158966266
Molecular FormulaC120H136Cl6N22O7
Molecular Weight2211.27 g/mol
Exact Mass2206.91
IUPAC Name6-(3-chloro-2-methylphenyl)-4-N-[(2E)-3,7-dimethylocta-2,6-dienyl]pyrimidine-2,4-diamine;6-(3-chloro-2-methylphenyl)-4-N-(2-methylpropyl)pyrimidine-2,4-diamine;4-(3-chloro-2-methylphenyl)-6-[2-(oxolan-2-yl)ethyl]pyrimidin-2-amine;ethyl 4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzoate;methyl 4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzoate;propyl 4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzoate
SMILESCC(C)=CCC/C(C)=C/CNc1cc(-c2cccc(Cl)c2C)nc(N)n1.CCCOC(=O)c1ccc(CCNc2cc(-c3cccc(Cl)c3C)nc(N)n2)cc1.CCOC(=O)c1ccc(CCCc2cc(-c3cccc(Cl)c3C)nc(N)n2)cc1.COC(=O)c1ccc(CCNc2cc(-c3cccc(Cl)c3C)nc(N)n2)cc1.Cc1c(Cl)cccc1-c1cc(CCC2CCCO2)nc(N)n1.Cc1c(Cl)cccc1-c1cc(NCC(C)C)nc(N)n1
InChIInChI=1S/C23H25ClN4O2.C23H24ClN3O2.C21H21ClN4O2.C21H27ClN4.C17H20ClN3O.C15H19ClN4/c1-3-13-30-22(29)17-9-7-16(8-10-17)11-12-26-21-14-20(27-23(25)28-21)18-5-4-6-19(24)15(18)2;1-3-29-22(28)17-12-10-16(11-13-17)6-4-7-18-14-21(27-23(25)26-18)19-8-5-9-20(24)15(19)2;1-13-16(4-3-5-17(13)22)18-12-19(26-21(23)25-18)24-11-10-14-6-8-15(9-7-14)20(27)28-2;1-14(2)7-5-8-15(3)11-12-24-20-13-19(25-21(23)26-20)17-9-6-10-18(22)16(17)4;1-11-14(5-2-6-15(11)18)16-10-12(20-17(19)21-16)7-8-13-4-3-9-22-13;1-9(2)8-18-14-7-13(19-15(17)20-14)11-5-4-6-12(16)10(11)3/h4-10,14H,3,11-13H2,1-2H3,(H3,25,26,27,28);5,8-14H,3-4,6-7H2,1-2H3,(H2,25,26,27);3-9,12H,10-11H2,1-2H3,(H3,23,24,25,26);6-7,9-11,13H,5,8,12H2,1-4H3,(H3,23,24,25,26);2,5-6,10,13H,3-4,7-9H2,1H3,(H2,19,20,21);4-7,9H,8H2,1-3H3,(H3,17,18,19,20)/b;;;15-11+;;
InChIKeyJNFYMJTXGGMSIN-SROJISHSSA-N
XLogP27.42
TPSA447.05 Ų
H-Bond Donors10
H-Bond Acceptors29
Rotatable Bonds36
Heavy Atoms155
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002211.27
LogP ≤ 527.42
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 6-(3-chloro-2-methylphenyl)-4-N-[(2E)-3,7-dimethylocta-2,6-dienyl]pyrimidine-2,4-diamine;6-(3-chloro-2-methylphenyl)-4-N-(2-methylpropyl)pyrimidine-2,4-diamine;4-(3-chloro-2-methylphenyl)-6-[2-(oxolan-2-yl)ethyl]pyrimidin-2-amine;ethyl 4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzoate;methyl 4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzoate;propyl 4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzoate with MolForge

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Launch Full Analysis

Related Compounds

Methyl 4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzoate
CID 118559249
Propan-2-yl 4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzoate
CID 118559256
Ethyl 4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzoate
CID 118559393
2,3-Dihydroxypropyl 4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzoate
CID 118559435
Propyl 4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzoate
CID 118559494
2-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]guanidine;6-(3-chloro-2-methylphenyl)-4-N-[2-[(4-methylsulfonylphenyl)methylsulfinyl]ethyl]pyrimidine-2,4-diamine;6-(3-chloro-2-methylphenyl)-4-N-[2-[(4-methylsulfonylphenyl)methylsulfonyl]ethyl]pyrimidine-2,4-diamine;6-(3-chloro-2-methylphenyl)-4-N-[2-(2-phenylethylsulfinyl)ethyl]pyrimidine-2,4-diamine;6-(3-chloro-2-methylphenyl)-4-N-[2-(2-phenylethylsulfonyl)ethyl]pyrimidine-2,4-diamine;ethyl 4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzoate
CID 157115222
1-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-3-butan-2-ylurea;1-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-3-ethylthiourea;N-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]morpholine-4-carboxamide;2,2-dimethylpropyl N-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]carbamate;2-methylpropyl N-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]carbamate;propan-2-yl 2-[4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]acetate
CID 157233427
2,4-Dichloro-5-phenylquinazoline;methyl 4-[[(2-chloro-5-phenylquinazolin-4-yl)amino]methyl]benzoate
CID 158242591
6-(3-chloro-2-methylphenyl)-4-N-(2-phenylethyl)pyrimidine-2,4-diamine;6-(3-chloro-2-methylphenyl)-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine;6-(3-chloro-2-methylphenyl)-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine;2,3-dihydroxypropyl 4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzoate;2-hydroxyethyl 4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzoate;2-methylsulfonylethyl 4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzoate
CID 159073616
Ethyl 4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzoate;2-hydroxyethyl 4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzoate;methyl 4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzoate;methyl 4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethylsulfanylmethyl]benzoate;2-methylsulfonylethyl 4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzoate;propyl 4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzoate
CID 159395582
4-chloro-N-ethyl-6-morpholin-4-ylpyrimidin-2-amine;3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylbenzoic acid;3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methyl-N-phenylbenzamide;methyl 3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylbenzoate
CID 160489369
4-N-butyl-6-(3-chloro-2-methylphenyl)pyrimidine-2,4-diamine;6-(3-chloro-2-methylphenyl)-4-N-[(2E)-3,7-dimethylocta-2,6-dienyl]pyrimidine-2,4-diamine;6-(3-chloro-2-methylphenyl)-4-N-(3-ethoxypropyl)pyrimidine-2,4-diamine;6-(3-chloro-2-methylphenyl)-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine;4-(3-chloro-2-methylphenyl)-6-[2-(oxan-4-yl)ethyl]pyrimidin-2-amine;4-(3-chloro-2-methylphenyl)-6-[2-(oxolan-2-yl)ethyl]pyrimidin-2-amine
CID 161024684

Frequently Asked Questions

What is the IUPAC name of 6-(3-chloro-2-methylphenyl)-4-N-[(2E)-3,7-dimethylocta-2,6-dienyl]pyrimidine-2,4-diamine;6-(3-chloro-2-methylphenyl)-4-N-(2-methylpropyl)pyrimidine-2,4-diamine;4-(3-chloro-2-methylphenyl)-6-[2-(oxolan-2-yl)ethyl]pyrimidin-2-amine;ethyl 4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzoate;methyl 4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzoate;propyl 4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzoate?
The IUPAC name of 6-(3-chloro-2-methylphenyl)-4-N-[(2E)-3,7-dimethylocta-2,6-dienyl]pyrimidine-2,4-diamine;6-(3-chloro-2-methylphenyl)-4-N-(2-methylpropyl)pyrimidine-2,4-diamine;4-(3-chloro-2-methylphenyl)-6-[2-(oxolan-2-yl)ethyl]pyrimidin-2-amine;ethyl 4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzoate;methyl 4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzoate;propyl 4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzoate (CID 158966266) is 6-(3-chloro-2-methylphenyl)-4-N-[(2E)-3,7-dimethylocta-2,6-dienyl]pyrimidine-2,4-diamine;6-(3-chloro-2-methylphenyl)-4-N-(2-methylpropyl)pyrimidine-2,4-diamine;4-(3-chloro-2-methylphenyl)-6-[2-(oxolan-2-yl)ethyl]pyrimidin-2-amine;ethyl 4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzoate;methyl 4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzoate;propyl 4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzoate.
What is the SMILES notation for 6-(3-chloro-2-methylphenyl)-4-N-[(2E)-3,7-dimethylocta-2,6-dienyl]pyrimidine-2,4-diamine;6-(3-chloro-2-methylphenyl)-4-N-(2-methylpropyl)pyrimidine-2,4-diamine;4-(3-chloro-2-methylphenyl)-6-[2-(oxolan-2-yl)ethyl]pyrimidin-2-amine;ethyl 4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzoate;methyl 4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzoate;propyl 4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzoate?
The canonical SMILES for 6-(3-chloro-2-methylphenyl)-4-N-[(2E)-3,7-dimethylocta-2,6-dienyl]pyrimidine-2,4-diamine;6-(3-chloro-2-methylphenyl)-4-N-(2-methylpropyl)pyrimidine-2,4-diamine;4-(3-chloro-2-methylphenyl)-6-[2-(oxolan-2-yl)ethyl]pyrimidin-2-amine;ethyl 4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzoate;methyl 4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzoate;propyl 4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzoate is CC(C)=CCC/C(C)=C/CNc1cc(-c2cccc(Cl)c2C)nc(N)n1.CCCOC(=O)c1ccc(CCNc2cc(-c3cccc(Cl)c3C)nc(N)n2)cc1.CCOC(=O)c1ccc(CCCc2cc(-c3cccc(Cl)c3C)nc(N)n2)cc1.COC(=O)c1ccc(CCNc2cc(-c3cccc(Cl)c3C)nc(N)n2)cc1.Cc1c(Cl)cccc1-c1cc(CCC2CCCO2)nc(N)n1.Cc1c(Cl)cccc1-c1cc(NCC(C)C)nc(N)n1.
What is the InChIKey of 6-(3-chloro-2-methylphenyl)-4-N-[(2E)-3,7-dimethylocta-2,6-dienyl]pyrimidine-2,4-diamine;6-(3-chloro-2-methylphenyl)-4-N-(2-methylpropyl)pyrimidine-2,4-diamine;4-(3-chloro-2-methylphenyl)-6-[2-(oxolan-2-yl)ethyl]pyrimidin-2-amine;ethyl 4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzoate;methyl 4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzoate;propyl 4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzoate?
The InChIKey is JNFYMJTXGGMSIN-SROJISHSSA-N. The full InChI is InChI=1S/C23H25ClN4O2.C23H24ClN3O2.C21H21ClN4O2.C21H27ClN4.C17H20ClN3O.C15H19ClN4/c1-3-13-30-22(29)17-9-7-16(8-10-17)11-12-26-21-14-20(27-23(25)28-21)18-5-4-6-19(24)15(18)2;1-3-29-22(28)17-12-10-16(11-13-17)6-4-7-18-14-21(27-23(25)26-18)19-8-5-9-20(24)15(19)2;1-13-16(4-3-5-17(13)22)18-12-19(26-21(23)25-18)24-11-10-14-6-8-15(9-7-14)20(27)28-2;1-14(2)7-5-8-15(3)11-12-24-20-13-19(25-21(23)26-20)17-9-6-10-18(22)16(17)4;1-11-14(5-2-6-15(11)18)16-10-12(20-17(19)21-16)7-8-13-4-3-9-22-13;1-9(2)8-18-14-7-13(19-15(17)20-14)11-5-4-6-12(16)10(11)3/h4-10,14H,3,11-13H2,1-2H3,(H3,25,26,27,28);5,8-14H,3-4,6-7H2,1-2H3,(H2,25,26,27);3-9,12H,10-11H2,1-2H3,(H3,23,24,25,26);6-7,9-11,13H,5,8,12H2,1-4H3,(H3,23,24,25,26);2,5-6,10,13H,3-4,7-9H2,1H3,(H2,19,20,21);4-7,9H,8H2,1-3H3,(H3,17,18,19,20)/b;;;15-11+;;.
What are the key properties of 6-(3-chloro-2-methylphenyl)-4-N-[(2E)-3,7-dimethylocta-2,6-dienyl]pyrimidine-2,4-diamine;6-(3-chloro-2-methylphenyl)-4-N-(2-methylpropyl)pyrimidine-2,4-diamine;4-(3-chloro-2-methylphenyl)-6-[2-(oxolan-2-yl)ethyl]pyrimidin-2-amine;ethyl 4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzoate;methyl 4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzoate;propyl 4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzoate?
6-(3-chloro-2-methylphenyl)-4-N-[(2E)-3,7-dimethylocta-2,6-dienyl]pyrimidine-2,4-diamine;6-(3-chloro-2-methylphenyl)-4-N-(2-methylpropyl)pyrimidine-2,4-diamine;4-(3-chloro-2-methylphenyl)-6-[2-(oxolan-2-yl)ethyl]pyrimidin-2-amine;ethyl 4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzoate;methyl 4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzoate;propyl 4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzoate has a molecular weight of 2211.27 g/mol, XLogP of 27.42, 36 rotatable bonds, 10 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chloro-2-methylphenyl)-4-N-[(2E)-3,7-dimethylocta-2,6-dienyl]pyrimidine-2,4-diamine;6-(3-chloro-2-methylphenyl)-4-N-(2-methylpropyl)pyrimidine-2,4-diamine;4-(3-chloro-2-methylphenyl)-6-[2-(oxolan-2-yl)ethyl]pyrimidin-2-amine;ethyl 4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzoate;methyl 4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzoate;propyl 4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzoate is sourced from PubChem (CID 158966266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).