6-amino-5-chloro-N-[5-[2-(3-chlorophenyl)acetyl]-2-methylphenyl]pyrimidine-4-carboxamide;6-amino-5-chloro-N-[5-[2-(4-chlorophenyl)acetyl]-2-methylphenyl]pyrimidine-4-carboxamide;6-amino-5-chloro-N-[5-[2-[4-chloro-3-(trifluoromethyl)phenyl]acetyl]-2-methylphenyl]pyrimidine-4-carboxamide;6-amino-5-chloro-N-[2-methyl-5-(2-phenylacetyl)phenyl]pyrimidine-4-carboxamide;6-amino-5-chloro-N-(2-methyl-5-propanoylphenyl)pyrimidine-4-carboxamide;6-amino-5-chloro-N-[2-methyl-5-(2-pyridin-2-ylacetyl)phenyl]pyrimidine-4-carboxamide;6-amino-5-chloro-N-[2-methyl-5-(2-pyridin-3-ylacetyl)phenyl]pyrimidine-4-carboxamide;6-amino-5-chloro-N-[2-methyl-5-[2-[3-(trifluoromethyl)phenyl]acetyl]phenyl]pyrimidine-4-carboxamide

C155H127Cl11F6N34O16 — CID 161449513

IUPAC6-amino-5-chloro-N-[5-[2-(3-chlorophenyl)acetyl]-2-methylphenyl]pyrimidine-4-carboxamide;6-amino-5-chloro-N-[5-[2-(4-chlorophenyl)acetyl]-2-methylphenyl]pyrimidine-4-carboxamide;6-amino-5-chloro-N-[5-[2-[4-chloro-3-(trifluoromethyl)phenyl]acetyl]-2-methylphenyl]pyrimidine-4-carboxamide;6-amino-5-chloro-N-[2-methyl-5-(2-phenylacetyl)phenyl]pyrimidine-4-carboxamide;6-amino-5-chloro-N-(2-methyl-5-propanoylphenyl)pyrimidine-4-carboxamide;6-amino-5-chloro-N-[2-methyl-5-(2-pyridin-2-ylacetyl)phenyl]pyrimidine-4-carboxamide;6-amino-5-chloro-N-[2-methyl-5-(2-pyridin-3-ylacetyl)phenyl]pyrimidine-4-carboxamide;6-amino-5-chloro-N-[2-methyl-5-[2-[3-(trifluoromethyl)phenyl]acetyl]phenyl]pyrimidine-4-carboxamide
SMILESCCC(=O)c1ccc(C)c(NC(=O)c2ncnc(N)c2Cl)c1.Cc1ccc(C(=O)Cc2ccc(Cl)c(C(F)(F)F)c2)cc1NC(=O)c1ncnc(N)c1Cl.Cc1ccc(C(=O)Cc2ccc(Cl)cc2)cc1NC(=O)c1ncnc(N)c1Cl.Cc1ccc(C(=O)Cc2cccc(C(F)(F)F)c2)cc1NC(=O)c1ncnc(N)c1Cl.Cc1ccc(C(=O)Cc2cccc(Cl)c2)cc1NC(=O)c1ncnc(N)c1Cl.Cc1ccc(C(=O)Cc2ccccc2)cc1NC(=O)c1ncnc(N)c1Cl.Cc1ccc(C(=O)Cc2ccccn2)cc1NC(=O)c1ncnc(N)c1Cl.Cc1ccc(C(=O)Cc2cccnc2)cc1NC(=O)c1ncnc(N)c1Cl
InChIInChI=1S/C21H15Cl2F3N4O2.C21H16ClF3N4O2.2C20H16Cl2N4O2.C20H17ClN4O2.2C19H16ClN5O2.C15H15ClN4O2/c1-10-2-4-12(8-15(10)30-20(32)18-17(23)19(27)29-9-28-18)16(31)7-11-3-5-14(22)13(6-11)21(24,25)26;1-11-5-6-13(16(30)8-12-3-2-4-14(7-12)21(23,24)25)9-15(11)29-20(31)18-17(22)19(26)28-10-27-18;1-11-2-5-13(16(27)8-12-3-6-14(21)7-4-12)9-15(11)26-20(28)18-17(22)19(23)25-10-24-18;1-11-5-6-13(16(27)8-12-3-2-4-14(21)7-12)9-15(11)26-20(28)18-17(22)19(23)25-10-24-18;1-12-7-8-14(16(26)9-13-5-3-2-4-6-13)10-15(12)25-20(27)18-17(21)19(22)24-11-23-18;1-11-4-5-13(15(26)7-12-3-2-6-22-9-12)8-14(11)25-19(27)17-16(20)18(21)24-10-23-17;1-11-5-6-12(15(26)9-13-4-2-3-7-22-13)8-14(11)25-19(27)17-16(20)18(21)24-10-23-17;1-3-11(21)9-5-4-8(2)10(6-9)20-15(22)13-12(16)14(17)19-7-18-13/h2-6,8-9H,7H2,1H3,(H,30,32)(H2,27,28,29);2-7,9-10H,8H2,1H3,(H,29,31)(H2,26,27,28);2*2-7,9-10H,8H2,1H3,(H,26,28)(H2,23,24,25);2-8,10-11H,9H2,1H3,(H,25,27)(H2,22,23,24);2-6,8-10H,7H2,1H3,(H,25,27)(H2,21,23,24);2-8,10H,9H2,1H3,(H,25,27)(H2,21,23,24);4-7H,3H2,1-2H3,(H,20,22)(H2,17,18,19)
InChIKeyWAIOBFJQZXRWEV-UHFFFAOYSA-N
MW3225.91 g/mol
LogP31.54
Rot. Bonds39

About 6-amino-5-chloro-N-[5-[2-(3-chlorophenyl)acetyl]-2-methylphenyl]pyrimidine-4-carboxamide;6-amino-5-chloro-N-[5-[2-(4-chlorophenyl)acetyl]-2-methylphenyl]pyrimidine-4-carboxamide;6-amino-5-chloro-N-[5-[2-[4-chloro-3-(trifluoromethyl)phenyl]acetyl]-2-methylphenyl]pyrimidine-4-carboxamide;6-amino-5-chloro-N-[2-methyl-5-(2-phenylacetyl)phenyl]pyrimidine-4-carboxamide;6-amino-5-chloro-N-(2-methyl-5-propanoylphenyl)pyrimidine-4-carboxamide;6-amino-5-chloro-N-[2-methyl-5-(2-pyridin-2-ylacetyl)phenyl]pyrimidine-4-carboxamide;6-amino-5-chloro-N-[2-methyl-5-(2-pyridin-3-ylacetyl)phenyl]pyrimidine-4-carboxamide;6-amino-5-chloro-N-[2-methyl-5-[2-[3-(trifluoromethyl)phenyl]acetyl]phenyl]pyrimidine-4-carboxamide

6-amino-5-chloro-N-[5-[2-(3-chlorophenyl)acetyl]-2-methylphenyl]pyrimidine-4-carboxamide;6-amino-5-chloro-N-[5-[2-(4-chlorophenyl)acetyl]-2-methylphenyl]pyrimidine-4-carboxamide;6-amino-5-chloro-N-[5-[2-[4-chloro-3-(trifluoromethyl)phenyl]acetyl]-2-methylphenyl]pyrimidine-4-carboxamide;6-amino-5-chloro-N-[2-methyl-5-(2-phenylacetyl)phenyl]pyrimidine-4-carboxamide;6-amino-5-chloro-N-(2-methyl-5-propanoylphenyl)pyrimidine-4-carboxamide;6-amino-5-chloro-N-[2-methyl-5-(2-pyridin-2-ylacetyl)phenyl]pyrimidine-4-carboxamide;6-amino-5-chloro-N-[2-methyl-5-(2-pyridin-3-ylacetyl)phenyl]pyrimidine-4-carboxamide;6-amino-5-chloro-N-[2-methyl-5-[2-[3-(trifluoromethyl)phenyl]acetyl]phenyl]pyrimidine-4-carboxamide (PubChem CID 161449513) has the molecular formula C155H127Cl11F6N34O16 and a molecular weight of 3225.91 g/mol. Its IUPAC name is 6-amino-5-chloro-N-[5-[2-(3-chlorophenyl)acetyl]-2-methylphenyl]pyrimidine-4-carboxamide;6-amino-5-chloro-N-[5-[2-(4-chlorophenyl)acetyl]-2-methylphenyl]pyrimidine-4-carboxamide;6-amino-5-chloro-N-[5-[2-[4-chloro-3-(trifluoromethyl)phenyl]acetyl]-2-methylphenyl]pyrimidine-4-carboxamide;6-amino-5-chloro-N-[2-methyl-5-(2-phenylacetyl)phenyl]pyrimidine-4-carboxamide;6-amino-5-chloro-N-(2-methyl-5-propanoylphenyl)pyrimidine-4-carboxamide;6-amino-5-chloro-N-[2-methyl-5-(2-pyridin-2-ylacetyl)phenyl]pyrimidine-4-carboxamide;6-amino-5-chloro-N-[2-methyl-5-(2-pyridin-3-ylacetyl)phenyl]pyrimidine-4-carboxamide;6-amino-5-chloro-N-[2-methyl-5-[2-[3-(trifluoromethyl)phenyl]acetyl]phenyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-amino-5-chloro-N-[5-[2-(3-chlorophenyl)acetyl]-2-methylphenyl]pyrimidine-4-carboxamide;6-amino-5-chloro-N-[5-[2-(4-chlorophenyl)acetyl]-2-methylphenyl]pyrimidine-4-carboxamide;6-amino-5-chloro-N-[5-[2-[4-chloro-3-(trifluoromethyl)phenyl]acetyl]-2-methylphenyl]pyrimidine-4-carboxamide;6-amino-5-chloro-N-[2-methyl-5-(2-phenylacetyl)phenyl]pyrimidine-4-carboxamide;6-amino-5-chloro-N-(2-methyl-5-propanoylphenyl)pyrimidine-4-carboxamide;6-amino-5-chloro-N-[2-methyl-5-(2-pyridin-2-ylacetyl)phenyl]pyrimidine-4-carboxamide;6-amino-5-chloro-N-[2-methyl-5-(2-pyridin-3-ylacetyl)phenyl]pyrimidine-4-carboxamide;6-amino-5-chloro-N-[2-methyl-5-[2-[3-(trifluoromethyl)phenyl]acetyl]phenyl]pyrimidine-4-carboxamide
PubChem CID161449513
Molecular FormulaC155H127Cl11F6N34O16
Molecular Weight3225.91 g/mol
Exact Mass3218.66
IUPAC Name6-amino-5-chloro-N-[5-[2-(3-chlorophenyl)acetyl]-2-methylphenyl]pyrimidine-4-carboxamide;6-amino-5-chloro-N-[5-[2-(4-chlorophenyl)acetyl]-2-methylphenyl]pyrimidine-4-carboxamide;6-amino-5-chloro-N-[5-[2-[4-chloro-3-(trifluoromethyl)phenyl]acetyl]-2-methylphenyl]pyrimidine-4-carboxamide;6-amino-5-chloro-N-[2-methyl-5-(2-phenylacetyl)phenyl]pyrimidine-4-carboxamide;6-amino-5-chloro-N-(2-methyl-5-propanoylphenyl)pyrimidine-4-carboxamide;6-amino-5-chloro-N-[2-methyl-5-(2-pyridin-2-ylacetyl)phenyl]pyrimidine-4-carboxamide;6-amino-5-chloro-N-[2-methyl-5-(2-pyridin-3-ylacetyl)phenyl]pyrimidine-4-carboxamide;6-amino-5-chloro-N-[2-methyl-5-[2-[3-(trifluoromethyl)phenyl]acetyl]phenyl]pyrimidine-4-carboxamide
SMILESCCC(=O)c1ccc(C)c(NC(=O)c2ncnc(N)c2Cl)c1.Cc1ccc(C(=O)Cc2ccc(Cl)c(C(F)(F)F)c2)cc1NC(=O)c1ncnc(N)c1Cl.Cc1ccc(C(=O)Cc2ccc(Cl)cc2)cc1NC(=O)c1ncnc(N)c1Cl.Cc1ccc(C(=O)Cc2cccc(C(F)(F)F)c2)cc1NC(=O)c1ncnc(N)c1Cl.Cc1ccc(C(=O)Cc2cccc(Cl)c2)cc1NC(=O)c1ncnc(N)c1Cl.Cc1ccc(C(=O)Cc2ccccc2)cc1NC(=O)c1ncnc(N)c1Cl.Cc1ccc(C(=O)Cc2ccccn2)cc1NC(=O)c1ncnc(N)c1Cl.Cc1ccc(C(=O)Cc2cccnc2)cc1NC(=O)c1ncnc(N)c1Cl
InChIInChI=1S/C21H15Cl2F3N4O2.C21H16ClF3N4O2.2C20H16Cl2N4O2.C20H17ClN4O2.2C19H16ClN5O2.C15H15ClN4O2/c1-10-2-4-12(8-15(10)30-20(32)18-17(23)19(27)29-9-28-18)16(31)7-11-3-5-14(22)13(6-11)21(24,25)26;1-11-5-6-13(16(30)8-12-3-2-4-14(7-12)21(23,24)25)9-15(11)29-20(31)18-17(22)19(26)28-10-27-18;1-11-2-5-13(16(27)8-12-3-6-14(21)7-4-12)9-15(11)26-20(28)18-17(22)19(23)25-10-24-18;1-11-5-6-13(16(27)8-12-3-2-4-14(21)7-12)9-15(11)26-20(28)18-17(22)19(23)25-10-24-18;1-12-7-8-14(16(26)9-13-5-3-2-4-6-13)10-15(12)25-20(27)18-17(21)19(22)24-11-23-18;1-11-4-5-13(15(26)7-12-3-2-6-22-9-12)8-14(11)25-19(27)17-16(20)18(21)24-10-23-17;1-11-5-6-12(15(26)9-13-4-2-3-7-22-13)8-14(11)25-19(27)17-16(20)18(21)24-10-23-17;1-3-11(21)9-5-4-8(2)10(6-9)20-15(22)13-12(16)14(17)19-7-18-13/h2-6,8-9H,7H2,1H3,(H,30,32)(H2,27,28,29);2-7,9-10H,8H2,1H3,(H,29,31)(H2,26,27,28);2*2-7,9-10H,8H2,1H3,(H,26,28)(H2,23,24,25);2-8,10-11H,9H2,1H3,(H,25,27)(H2,22,23,24);2-6,8-10H,7H2,1H3,(H,25,27)(H2,21,23,24);2-8,10H,9H2,1H3,(H,25,27)(H2,21,23,24);4-7H,3H2,1-2H3,(H,20,22)(H2,17,18,19)
InChIKeyWAIOBFJQZXRWEV-UHFFFAOYSA-N
XLogP31.54
TPSA809.54 Ų
H-Bond Donors16
H-Bond Acceptors42
Rotatable Bonds39
Heavy Atoms222
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003225.91
LogP ≤ 531.54
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1042

Analyze 6-amino-5-chloro-N-[5-[2-(3-chlorophenyl)acetyl]-2-methylphenyl]pyrimidine-4-carboxamide;6-amino-5-chloro-N-[5-[2-(4-chlorophenyl)acetyl]-2-methylphenyl]pyrimidine-4-carboxamide;6-amino-5-chloro-N-[5-[2-[4-chloro-3-(trifluoromethyl)phenyl]acetyl]-2-methylphenyl]pyrimidine-4-carboxamide;6-amino-5-chloro-N-[2-methyl-5-(2-phenylacetyl)phenyl]pyrimidine-4-carboxamide;6-amino-5-chloro-N-(2-methyl-5-propanoylphenyl)pyrimidine-4-carboxamide;6-amino-5-chloro-N-[2-methyl-5-(2-pyridin-2-ylacetyl)phenyl]pyrimidine-4-carboxamide;6-amino-5-chloro-N-[2-methyl-5-(2-pyridin-3-ylacetyl)phenyl]pyrimidine-4-carboxamide;6-amino-5-chloro-N-[2-methyl-5-[2-[3-(trifluoromethyl)phenyl]acetyl]phenyl]pyrimidine-4-carboxamide with MolForge

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Related Compounds

1-[4-methyl-3-[(2-pyridin-3-ylpyrido[2,3-d]pyrimidin-4-yl)amino]phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone
CID 164981658
3-[2-(6-amino-5-chloropyrimidin-4-yl)-2-oxoethyl]-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 147166864
4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-N-[3-(2-pyridin-3-ylacetyl)phenyl]benzamide
CID 148642856
1-[3-[(4-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)methylamino]-4-methylphenyl]-2-[3-(trifluoromethyl)phenyl]ethanone
CID 148760509
1-(4-amino-3-chlorophenyl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 116581836
4-methyl-3-[[2-(pyridin-3-ylmethoxy)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 166200827
1-(5-chloro-2-methylphenyl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 114966354
1-[2-methyl-4-(trifluoromethyl)phenyl]-2-pyridin-3-ylethanone
CID 102752411
CID 162218398
CID 162218398
1-[2-methyl-4-(trifluoromethyl)phenyl]-2-pyridin-2-ylethanone
CID 102752303
1-[3-[[2-(4-ethylphenyl)-5H-cyclopenta[d]pyrimidin-4-yl]amino]-4-methylphenyl]-2-[3-(trifluoromethyl)phenyl]ethanone
CID 161034103
1-(3-chloro-4-methylphenyl)-2-(3-chlorophenyl)ethanone
CID 63528907

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-chloro-N-[5-[2-(3-chlorophenyl)acetyl]-2-methylphenyl]pyrimidine-4-carboxamide;6-amino-5-chloro-N-[5-[2-(4-chlorophenyl)acetyl]-2-methylphenyl]pyrimidine-4-carboxamide;6-amino-5-chloro-N-[5-[2-[4-chloro-3-(trifluoromethyl)phenyl]acetyl]-2-methylphenyl]pyrimidine-4-carboxamide;6-amino-5-chloro-N-[2-methyl-5-(2-phenylacetyl)phenyl]pyrimidine-4-carboxamide;6-amino-5-chloro-N-(2-methyl-5-propanoylphenyl)pyrimidine-4-carboxamide;6-amino-5-chloro-N-[2-methyl-5-(2-pyridin-2-ylacetyl)phenyl]pyrimidine-4-carboxamide;6-amino-5-chloro-N-[2-methyl-5-(2-pyridin-3-ylacetyl)phenyl]pyrimidine-4-carboxamide;6-amino-5-chloro-N-[2-methyl-5-[2-[3-(trifluoromethyl)phenyl]acetyl]phenyl]pyrimidine-4-carboxamide?
The IUPAC name of 6-amino-5-chloro-N-[5-[2-(3-chlorophenyl)acetyl]-2-methylphenyl]pyrimidine-4-carboxamide;6-amino-5-chloro-N-[5-[2-(4-chlorophenyl)acetyl]-2-methylphenyl]pyrimidine-4-carboxamide;6-amino-5-chloro-N-[5-[2-[4-chloro-3-(trifluoromethyl)phenyl]acetyl]-2-methylphenyl]pyrimidine-4-carboxamide;6-amino-5-chloro-N-[2-methyl-5-(2-phenylacetyl)phenyl]pyrimidine-4-carboxamide;6-amino-5-chloro-N-(2-methyl-5-propanoylphenyl)pyrimidine-4-carboxamide;6-amino-5-chloro-N-[2-methyl-5-(2-pyridin-2-ylacetyl)phenyl]pyrimidine-4-carboxamide;6-amino-5-chloro-N-[2-methyl-5-(2-pyridin-3-ylacetyl)phenyl]pyrimidine-4-carboxamide;6-amino-5-chloro-N-[2-methyl-5-[2-[3-(trifluoromethyl)phenyl]acetyl]phenyl]pyrimidine-4-carboxamide (CID 161449513) is 6-amino-5-chloro-N-[5-[2-(3-chlorophenyl)acetyl]-2-methylphenyl]pyrimidine-4-carboxamide;6-amino-5-chloro-N-[5-[2-(4-chlorophenyl)acetyl]-2-methylphenyl]pyrimidine-4-carboxamide;6-amino-5-chloro-N-[5-[2-[4-chloro-3-(trifluoromethyl)phenyl]acetyl]-2-methylphenyl]pyrimidine-4-carboxamide;6-amino-5-chloro-N-[2-methyl-5-(2-phenylacetyl)phenyl]pyrimidine-4-carboxamide;6-amino-5-chloro-N-(2-methyl-5-propanoylphenyl)pyrimidine-4-carboxamide;6-amino-5-chloro-N-[2-methyl-5-(2-pyridin-2-ylacetyl)phenyl]pyrimidine-4-carboxamide;6-amino-5-chloro-N-[2-methyl-5-(2-pyridin-3-ylacetyl)phenyl]pyrimidine-4-carboxamide;6-amino-5-chloro-N-[2-methyl-5-[2-[3-(trifluoromethyl)phenyl]acetyl]phenyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-amino-5-chloro-N-[5-[2-(3-chlorophenyl)acetyl]-2-methylphenyl]pyrimidine-4-carboxamide;6-amino-5-chloro-N-[5-[2-(4-chlorophenyl)acetyl]-2-methylphenyl]pyrimidine-4-carboxamide;6-amino-5-chloro-N-[5-[2-[4-chloro-3-(trifluoromethyl)phenyl]acetyl]-2-methylphenyl]pyrimidine-4-carboxamide;6-amino-5-chloro-N-[2-methyl-5-(2-phenylacetyl)phenyl]pyrimidine-4-carboxamide;6-amino-5-chloro-N-(2-methyl-5-propanoylphenyl)pyrimidine-4-carboxamide;6-amino-5-chloro-N-[2-methyl-5-(2-pyridin-2-ylacetyl)phenyl]pyrimidine-4-carboxamide;6-amino-5-chloro-N-[2-methyl-5-(2-pyridin-3-ylacetyl)phenyl]pyrimidine-4-carboxamide;6-amino-5-chloro-N-[2-methyl-5-[2-[3-(trifluoromethyl)phenyl]acetyl]phenyl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-amino-5-chloro-N-[5-[2-(3-chlorophenyl)acetyl]-2-methylphenyl]pyrimidine-4-carboxamide;6-amino-5-chloro-N-[5-[2-(4-chlorophenyl)acetyl]-2-methylphenyl]pyrimidine-4-carboxamide;6-amino-5-chloro-N-[5-[2-[4-chloro-3-(trifluoromethyl)phenyl]acetyl]-2-methylphenyl]pyrimidine-4-carboxamide;6-amino-5-chloro-N-[2-methyl-5-(2-phenylacetyl)phenyl]pyrimidine-4-carboxamide;6-amino-5-chloro-N-(2-methyl-5-propanoylphenyl)pyrimidine-4-carboxamide;6-amino-5-chloro-N-[2-methyl-5-(2-pyridin-2-ylacetyl)phenyl]pyrimidine-4-carboxamide;6-amino-5-chloro-N-[2-methyl-5-(2-pyridin-3-ylacetyl)phenyl]pyrimidine-4-carboxamide;6-amino-5-chloro-N-[2-methyl-5-[2-[3-(trifluoromethyl)phenyl]acetyl]phenyl]pyrimidine-4-carboxamide is CCC(=O)c1ccc(C)c(NC(=O)c2ncnc(N)c2Cl)c1.Cc1ccc(C(=O)Cc2ccc(Cl)c(C(F)(F)F)c2)cc1NC(=O)c1ncnc(N)c1Cl.Cc1ccc(C(=O)Cc2ccc(Cl)cc2)cc1NC(=O)c1ncnc(N)c1Cl.Cc1ccc(C(=O)Cc2cccc(C(F)(F)F)c2)cc1NC(=O)c1ncnc(N)c1Cl.Cc1ccc(C(=O)Cc2cccc(Cl)c2)cc1NC(=O)c1ncnc(N)c1Cl.Cc1ccc(C(=O)Cc2ccccc2)cc1NC(=O)c1ncnc(N)c1Cl.Cc1ccc(C(=O)Cc2ccccn2)cc1NC(=O)c1ncnc(N)c1Cl.Cc1ccc(C(=O)Cc2cccnc2)cc1NC(=O)c1ncnc(N)c1Cl.
What is the InChIKey of 6-amino-5-chloro-N-[5-[2-(3-chlorophenyl)acetyl]-2-methylphenyl]pyrimidine-4-carboxamide;6-amino-5-chloro-N-[5-[2-(4-chlorophenyl)acetyl]-2-methylphenyl]pyrimidine-4-carboxamide;6-amino-5-chloro-N-[5-[2-[4-chloro-3-(trifluoromethyl)phenyl]acetyl]-2-methylphenyl]pyrimidine-4-carboxamide;6-amino-5-chloro-N-[2-methyl-5-(2-phenylacetyl)phenyl]pyrimidine-4-carboxamide;6-amino-5-chloro-N-(2-methyl-5-propanoylphenyl)pyrimidine-4-carboxamide;6-amino-5-chloro-N-[2-methyl-5-(2-pyridin-2-ylacetyl)phenyl]pyrimidine-4-carboxamide;6-amino-5-chloro-N-[2-methyl-5-(2-pyridin-3-ylacetyl)phenyl]pyrimidine-4-carboxamide;6-amino-5-chloro-N-[2-methyl-5-[2-[3-(trifluoromethyl)phenyl]acetyl]phenyl]pyrimidine-4-carboxamide?
The InChIKey is WAIOBFJQZXRWEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15Cl2F3N4O2.C21H16ClF3N4O2.2C20H16Cl2N4O2.C20H17ClN4O2.2C19H16ClN5O2.C15H15ClN4O2/c1-10-2-4-12(8-15(10)30-20(32)18-17(23)19(27)29-9-28-18)16(31)7-11-3-5-14(22)13(6-11)21(24,25)26;1-11-5-6-13(16(30)8-12-3-2-4-14(7-12)21(23,24)25)9-15(11)29-20(31)18-17(22)19(26)28-10-27-18;1-11-2-5-13(16(27)8-12-3-6-14(21)7-4-12)9-15(11)26-20(28)18-17(22)19(23)25-10-24-18;1-11-5-6-13(16(27)8-12-3-2-4-14(21)7-12)9-15(11)26-20(28)18-17(22)19(23)25-10-24-18;1-12-7-8-14(16(26)9-13-5-3-2-4-6-13)10-15(12)25-20(27)18-17(21)19(22)24-11-23-18;1-11-4-5-13(15(26)7-12-3-2-6-22-9-12)8-14(11)25-19(27)17-16(20)18(21)24-10-23-17;1-11-5-6-12(15(26)9-13-4-2-3-7-22-13)8-14(11)25-19(27)17-16(20)18(21)24-10-23-17;1-3-11(21)9-5-4-8(2)10(6-9)20-15(22)13-12(16)14(17)19-7-18-13/h2-6,8-9H,7H2,1H3,(H,30,32)(H2,27,28,29);2-7,9-10H,8H2,1H3,(H,29,31)(H2,26,27,28);2*2-7,9-10H,8H2,1H3,(H,26,28)(H2,23,24,25);2-8,10-11H,9H2,1H3,(H,25,27)(H2,22,23,24);2-6,8-10H,7H2,1H3,(H,25,27)(H2,21,23,24);2-8,10H,9H2,1H3,(H,25,27)(H2,21,23,24);4-7H,3H2,1-2H3,(H,20,22)(H2,17,18,19).
What are the key properties of 6-amino-5-chloro-N-[5-[2-(3-chlorophenyl)acetyl]-2-methylphenyl]pyrimidine-4-carboxamide;6-amino-5-chloro-N-[5-[2-(4-chlorophenyl)acetyl]-2-methylphenyl]pyrimidine-4-carboxamide;6-amino-5-chloro-N-[5-[2-[4-chloro-3-(trifluoromethyl)phenyl]acetyl]-2-methylphenyl]pyrimidine-4-carboxamide;6-amino-5-chloro-N-[2-methyl-5-(2-phenylacetyl)phenyl]pyrimidine-4-carboxamide;6-amino-5-chloro-N-(2-methyl-5-propanoylphenyl)pyrimidine-4-carboxamide;6-amino-5-chloro-N-[2-methyl-5-(2-pyridin-2-ylacetyl)phenyl]pyrimidine-4-carboxamide;6-amino-5-chloro-N-[2-methyl-5-(2-pyridin-3-ylacetyl)phenyl]pyrimidine-4-carboxamide;6-amino-5-chloro-N-[2-methyl-5-[2-[3-(trifluoromethyl)phenyl]acetyl]phenyl]pyrimidine-4-carboxamide?
6-amino-5-chloro-N-[5-[2-(3-chlorophenyl)acetyl]-2-methylphenyl]pyrimidine-4-carboxamide;6-amino-5-chloro-N-[5-[2-(4-chlorophenyl)acetyl]-2-methylphenyl]pyrimidine-4-carboxamide;6-amino-5-chloro-N-[5-[2-[4-chloro-3-(trifluoromethyl)phenyl]acetyl]-2-methylphenyl]pyrimidine-4-carboxamide;6-amino-5-chloro-N-[2-methyl-5-(2-phenylacetyl)phenyl]pyrimidine-4-carboxamide;6-amino-5-chloro-N-(2-methyl-5-propanoylphenyl)pyrimidine-4-carboxamide;6-amino-5-chloro-N-[2-methyl-5-(2-pyridin-2-ylacetyl)phenyl]pyrimidine-4-carboxamide;6-amino-5-chloro-N-[2-methyl-5-(2-pyridin-3-ylacetyl)phenyl]pyrimidine-4-carboxamide;6-amino-5-chloro-N-[2-methyl-5-[2-[3-(trifluoromethyl)phenyl]acetyl]phenyl]pyrimidine-4-carboxamide has a molecular weight of 3225.91 g/mol, XLogP of 31.54, 39 rotatable bonds, 16 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-chloro-N-[5-[2-(3-chlorophenyl)acetyl]-2-methylphenyl]pyrimidine-4-carboxamide;6-amino-5-chloro-N-[5-[2-(4-chlorophenyl)acetyl]-2-methylphenyl]pyrimidine-4-carboxamide;6-amino-5-chloro-N-[5-[2-[4-chloro-3-(trifluoromethyl)phenyl]acetyl]-2-methylphenyl]pyrimidine-4-carboxamide;6-amino-5-chloro-N-[2-methyl-5-(2-phenylacetyl)phenyl]pyrimidine-4-carboxamide;6-amino-5-chloro-N-(2-methyl-5-propanoylphenyl)pyrimidine-4-carboxamide;6-amino-5-chloro-N-[2-methyl-5-(2-pyridin-2-ylacetyl)phenyl]pyrimidine-4-carboxamide;6-amino-5-chloro-N-[2-methyl-5-(2-pyridin-3-ylacetyl)phenyl]pyrimidine-4-carboxamide;6-amino-5-chloro-N-[2-methyl-5-[2-[3-(trifluoromethyl)phenyl]acetyl]phenyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 161449513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).