4-acetamido-N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]cyclohexane-1-carboxamide;3-amino-N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]cyclohexane-1-carboxamide;cis-(1S,2R)-2-amino-N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]cyclohexane-1-carboxamide;N-[6-(2-methoxyphenyl)pyrimidin-4-yl]cyclobutanecarboxamide;N-[6-(2-methoxyphenyl)pyrimidin-4-yl]cyclohexanecarboxamide;N-[6-(2-methoxyphenyl)pyrimidin-4-yl]oxane-2-carboxamide;N-[6-(2-methoxyphenyl)pyrimidin-4-yl]-3-(2-oxopropyl)cyclohexane-1-carboxamide;N-[6-(2-methoxyphenyl)pyrimidin-4-yl]thiane-4-carboxamide;dihydrochloride

C145H168Cl2F3N27O19S — CID 158120345

IUPAC4-acetamido-N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]cyclohexane-1-carboxamide;3-amino-N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]cyclohexane-1-carboxamide;cis-(1S,2R)-2-amino-N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]cyclohexane-1-carboxamide;N-[6-(2-methoxyphenyl)pyrimidin-4-yl]cyclobutanecarboxamide;N-[6-(2-methoxyphenyl)pyrimidin-4-yl]cyclohexanecarboxamide;N-[6-(2-methoxyphenyl)pyrimidin-4-yl]oxane-2-carboxamide;N-[6-(2-methoxyphenyl)pyrimidin-4-yl]-3-(2-oxopropyl)cyclohexane-1-carboxamide;N-[6-(2-methoxyphenyl)pyrimidin-4-yl]thiane-4-carboxamide;dihydrochloride
SMILESCOc1ccc(F)cc1-c1cc(NC(=O)C2CCC(NC(C)=O)CC2)ncn1.COc1ccc(F)cc1-c1cc(NC(=O)C2CCCC(N)C2)ncn1.COc1ccc(F)cc1-c1cc(NC(=O)[C@H]2CCCC[C@H]2N)ncn1.COc1ccccc1-c1cc(NC(=O)C2CCC2)ncn1.COc1ccccc1-c1cc(NC(=O)C2CCCC(CC(C)=O)C2)ncn1.COc1ccccc1-c1cc(NC(=O)C2CCCCC2)ncn1.COc1ccccc1-c1cc(NC(=O)C2CCCCO2)ncn1.COc1ccccc1-c1cc(NC(=O)C2CCSCC2)ncn1.Cl.Cl
InChIInChI=1S/C21H25N3O3.C20H23FN4O3.2C18H21FN4O2.C18H21N3O2.C17H19N3O3.C17H19N3O2S.C16H17N3O2.2ClH/c1-14(25)10-15-6-5-7-16(11-15)21(26)24-20-12-18(22-13-23-20)17-8-3-4-9-19(17)27-2;1-12(26)24-15-6-3-13(4-7-15)20(27)25-19-10-17(22-11-23-19)16-9-14(21)5-8-18(16)28-2;1-25-16-6-5-12(19)8-14(16)15-9-17(22-10-21-15)23-18(24)11-3-2-4-13(20)7-11;1-25-16-7-6-11(19)8-13(16)15-9-17(22-10-21-15)23-18(24)12-4-2-3-5-14(12)20;1-23-16-10-6-5-9-14(16)15-11-17(20-12-19-15)21-18(22)13-7-3-2-4-8-13;1-22-14-7-3-2-6-12(14)13-10-16(19-11-18-13)20-17(21)15-8-4-5-9-23-15;1-22-15-5-3-2-4-13(15)14-10-16(19-11-18-14)20-17(21)12-6-8-23-9-7-12;1-21-14-8-3-2-7-12(14)13-9-15(18-10-17-13)19-16(20)11-5-4-6-11;;/h3-4,8-9,12-13,15-16H,5-7,10-11H2,1-2H3,(H,22,23,24,26);5,8-11,13,15H,3-4,6-7H2,1-2H3,(H,24,26)(H,22,23,25,27);5-6,8-11,13H,2-4,7,20H2,1H3,(H,21,22,23,24);6-10,12,14H,2-5,20H2,1H3,(H,21,22,23,24);5-6,9-13H,2-4,7-8H2,1H3,(H,19,20,21,22);2-3,6-7,10-11,15H,4-5,8-9H2,1H3,(H,18,19,20,21);2-5,10-12H,6-9H2,1H3,(H,18,19,20,21);2-3,7-11H,4-6H2,1H3,(H,17,18,19,20);2*1H/t;;;12-,14+;;;;;;/m...0....../s1
InChIKeyPMLNCVIWFNZVSU-IPMFSADDSA-N
MW2753.08 g/mol
LogP25.59
Rot. Bonds35

About 4-acetamido-N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]cyclohexane-1-carboxamide;3-amino-N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]cyclohexane-1-carboxamide;cis-(1S,2R)-2-amino-N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]cyclohexane-1-carboxamide;N-[6-(2-methoxyphenyl)pyrimidin-4-yl]cyclobutanecarboxamide;N-[6-(2-methoxyphenyl)pyrimidin-4-yl]cyclohexanecarboxamide;N-[6-(2-methoxyphenyl)pyrimidin-4-yl]oxane-2-carboxamide;N-[6-(2-methoxyphenyl)pyrimidin-4-yl]-3-(2-oxopropyl)cyclohexane-1-carboxamide;N-[6-(2-methoxyphenyl)pyrimidin-4-yl]thiane-4-carboxamide;dihydrochloride

4-acetamido-N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]cyclohexane-1-carboxamide;3-amino-N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]cyclohexane-1-carboxamide;cis-(1S,2R)-2-amino-N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]cyclohexane-1-carboxamide;N-[6-(2-methoxyphenyl)pyrimidin-4-yl]cyclobutanecarboxamide;N-[6-(2-methoxyphenyl)pyrimidin-4-yl]cyclohexanecarboxamide;N-[6-(2-methoxyphenyl)pyrimidin-4-yl]oxane-2-carboxamide;N-[6-(2-methoxyphenyl)pyrimidin-4-yl]-3-(2-oxopropyl)cyclohexane-1-carboxamide;N-[6-(2-methoxyphenyl)pyrimidin-4-yl]thiane-4-carboxamide;dihydrochloride (PubChem CID 158120345) has the molecular formula C145H168Cl2F3N27O19S and a molecular weight of 2753.08 g/mol. Its IUPAC name is 4-acetamido-N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]cyclohexane-1-carboxamide;3-amino-N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]cyclohexane-1-carboxamide;cis-(1S,2R)-2-amino-N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]cyclohexane-1-carboxamide;N-[6-(2-methoxyphenyl)pyrimidin-4-yl]cyclobutanecarboxamide;N-[6-(2-methoxyphenyl)pyrimidin-4-yl]cyclohexanecarboxamide;N-[6-(2-methoxyphenyl)pyrimidin-4-yl]oxane-2-carboxamide;N-[6-(2-methoxyphenyl)pyrimidin-4-yl]-3-(2-oxopropyl)cyclohexane-1-carboxamide;N-[6-(2-methoxyphenyl)pyrimidin-4-yl]thiane-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name4-acetamido-N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]cyclohexane-1-carboxamide;3-amino-N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]cyclohexane-1-carboxamide;cis-(1S,2R)-2-amino-N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]cyclohexane-1-carboxamide;N-[6-(2-methoxyphenyl)pyrimidin-4-yl]cyclobutanecarboxamide;N-[6-(2-methoxyphenyl)pyrimidin-4-yl]cyclohexanecarboxamide;N-[6-(2-methoxyphenyl)pyrimidin-4-yl]oxane-2-carboxamide;N-[6-(2-methoxyphenyl)pyrimidin-4-yl]-3-(2-oxopropyl)cyclohexane-1-carboxamide;N-[6-(2-methoxyphenyl)pyrimidin-4-yl]thiane-4-carboxamide;dihydrochloride
PubChem CID158120345
Molecular FormulaC145H168Cl2F3N27O19S
Molecular Weight2753.08 g/mol
Exact Mass2750.21
IUPAC Name4-acetamido-N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]cyclohexane-1-carboxamide;3-amino-N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]cyclohexane-1-carboxamide;cis-(1S,2R)-2-amino-N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]cyclohexane-1-carboxamide;N-[6-(2-methoxyphenyl)pyrimidin-4-yl]cyclobutanecarboxamide;N-[6-(2-methoxyphenyl)pyrimidin-4-yl]cyclohexanecarboxamide;N-[6-(2-methoxyphenyl)pyrimidin-4-yl]oxane-2-carboxamide;N-[6-(2-methoxyphenyl)pyrimidin-4-yl]-3-(2-oxopropyl)cyclohexane-1-carboxamide;N-[6-(2-methoxyphenyl)pyrimidin-4-yl]thiane-4-carboxamide;dihydrochloride
SMILESCOc1ccc(F)cc1-c1cc(NC(=O)C2CCC(NC(C)=O)CC2)ncn1.COc1ccc(F)cc1-c1cc(NC(=O)C2CCCC(N)C2)ncn1.COc1ccc(F)cc1-c1cc(NC(=O)[C@H]2CCCC[C@H]2N)ncn1.COc1ccccc1-c1cc(NC(=O)C2CCC2)ncn1.COc1ccccc1-c1cc(NC(=O)C2CCCC(CC(C)=O)C2)ncn1.COc1ccccc1-c1cc(NC(=O)C2CCCCC2)ncn1.COc1ccccc1-c1cc(NC(=O)C2CCCCO2)ncn1.COc1ccccc1-c1cc(NC(=O)C2CCSCC2)ncn1.Cl.Cl
InChIInChI=1S/C21H25N3O3.C20H23FN4O3.2C18H21FN4O2.C18H21N3O2.C17H19N3O3.C17H19N3O2S.C16H17N3O2.2ClH/c1-14(25)10-15-6-5-7-16(11-15)21(26)24-20-12-18(22-13-23-20)17-8-3-4-9-19(17)27-2;1-12(26)24-15-6-3-13(4-7-15)20(27)25-19-10-17(22-11-23-19)16-9-14(21)5-8-18(16)28-2;1-25-16-6-5-12(19)8-14(16)15-9-17(22-10-21-15)23-18(24)11-3-2-4-13(20)7-11;1-25-16-7-6-11(19)8-13(16)15-9-17(22-10-21-15)23-18(24)12-4-2-3-5-14(12)20;1-23-16-10-6-5-9-14(16)15-11-17(20-12-19-15)21-18(22)13-7-3-2-4-8-13;1-22-14-7-3-2-6-12(14)13-10-16(19-11-18-13)20-17(21)15-8-4-5-9-23-15;1-22-15-5-3-2-4-13(15)14-10-16(19-11-18-14)20-17(21)12-6-8-23-9-7-12;1-21-14-8-3-2-7-12(14)13-9-15(18-10-17-13)19-16(20)11-5-4-6-11;;/h3-4,8-9,12-13,15-16H,5-7,10-11H2,1-2H3,(H,22,23,24,26);5,8-11,13,15H,3-4,6-7H2,1-2H3,(H,24,26)(H,22,23,25,27);5-6,8-11,13H,2-4,7,20H2,1H3,(H,21,22,23,24);6-10,12,14H,2-5,20H2,1H3,(H,21,22,23,24);5-6,9-13H,2-4,7-8H2,1H3,(H,19,20,21,22);2-3,6-7,10-11,15H,4-5,8-9H2,1H3,(H,18,19,20,21);2-5,10-12H,6-9H2,1H3,(H,18,19,20,21);2-3,7-11H,4-6H2,1H3,(H,17,18,19,20);2*1H/t;;;12-,14+;;;;;;/m...0....../s1
InChIKeyPMLNCVIWFNZVSU-IPMFSADDSA-N
XLogP25.59
TPSA620.32 Ų
H-Bond Donors11
H-Bond Acceptors38
Rotatable Bonds35
Heavy Atoms197
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002753.08
LogP ≤ 525.59
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1038

Analyze 4-acetamido-N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]cyclohexane-1-carboxamide;3-amino-N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]cyclohexane-1-carboxamide;cis-(1S,2R)-2-amino-N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]cyclohexane-1-carboxamide;N-[6-(2-methoxyphenyl)pyrimidin-4-yl]cyclobutanecarboxamide;N-[6-(2-methoxyphenyl)pyrimidin-4-yl]cyclohexanecarboxamide;N-[6-(2-methoxyphenyl)pyrimidin-4-yl]oxane-2-carboxamide;N-[6-(2-methoxyphenyl)pyrimidin-4-yl]-3-(2-oxopropyl)cyclohexane-1-carboxamide;N-[6-(2-methoxyphenyl)pyrimidin-4-yl]thiane-4-carboxamide;dihydrochloride with MolForge

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Related Compounds

2-amino-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]cyclohexane-1-carboxamide;3-amino-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]cyclohexane-1-carboxamide;4-amino-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]cyclohexane-1-carboxamide;tert-butyl 4-fluoro-2-[[6-(2-methoxyphenyl)pyrimidin-4-yl]carbamoyl]pyrrolidine-1-carboxylate;tert-butyl 2-[3-[[6-(2-methoxyphenyl)pyrimidin-4-yl]carbamoyl]cyclohexyl]acetate;tert-butyl N-[4-[[6-(2-methoxyphenyl)pyrimidin-4-yl]carbamoyl]cyclohexyl]carbamate;3,3-difluoro-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]cyclopentane-1-carboxamide;tetrahydrochloride
CID 158852733
4-amino-N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]cyclohexane-1-carboxamide;N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]cyclohexanecarboxamide;N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]oxane-4-carboxamide;N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-oxopiperidine-3-carboxamide;N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-oxopiperidine-4-carboxamide;4-fluoro-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]pyrrolidine-2-carboxamide;N-[6-(2-methoxyphenyl)pyrimidin-4-yl]oxane-4-carboxamide;bis(2,2,2-trifluoroacetaldehyde);hydrochloride
CID 159103091
N-[6-(2-ethoxy-4-fluorophenyl)pyrimidin-4-yl]-2-pyridin-3-ylacetamide;N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-methyl-2-pyridin-4-ylpropanamide;N-[6-(4-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-pyridin-4-ylacetamide;N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-pyridin-4-ylsulfanylacetamide;N-[6-(4-fluoro-2-propan-2-yloxyphenyl)pyrimidin-4-yl]-2-pyridin-3-ylacetamide;N-[6-(4-fluoro-2-propan-2-yloxyphenyl)pyrimidin-4-yl]-2-pyridin-4-ylacetamide;N-[6-(2-methoxyphenyl)pyrimidin-4-yl]-2-pyridin-3-yloxypropanamide;tetrahydrochloride
CID 161385888

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]cyclohexane-1-carboxamide;3-amino-N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]cyclohexane-1-carboxamide;cis-(1S,2R)-2-amino-N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]cyclohexane-1-carboxamide;N-[6-(2-methoxyphenyl)pyrimidin-4-yl]cyclobutanecarboxamide;N-[6-(2-methoxyphenyl)pyrimidin-4-yl]cyclohexanecarboxamide;N-[6-(2-methoxyphenyl)pyrimidin-4-yl]oxane-2-carboxamide;N-[6-(2-methoxyphenyl)pyrimidin-4-yl]-3-(2-oxopropyl)cyclohexane-1-carboxamide;N-[6-(2-methoxyphenyl)pyrimidin-4-yl]thiane-4-carboxamide;dihydrochloride?
The IUPAC name of 4-acetamido-N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]cyclohexane-1-carboxamide;3-amino-N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]cyclohexane-1-carboxamide;cis-(1S,2R)-2-amino-N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]cyclohexane-1-carboxamide;N-[6-(2-methoxyphenyl)pyrimidin-4-yl]cyclobutanecarboxamide;N-[6-(2-methoxyphenyl)pyrimidin-4-yl]cyclohexanecarboxamide;N-[6-(2-methoxyphenyl)pyrimidin-4-yl]oxane-2-carboxamide;N-[6-(2-methoxyphenyl)pyrimidin-4-yl]-3-(2-oxopropyl)cyclohexane-1-carboxamide;N-[6-(2-methoxyphenyl)pyrimidin-4-yl]thiane-4-carboxamide;dihydrochloride (CID 158120345) is 4-acetamido-N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]cyclohexane-1-carboxamide;3-amino-N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]cyclohexane-1-carboxamide;cis-(1S,2R)-2-amino-N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]cyclohexane-1-carboxamide;N-[6-(2-methoxyphenyl)pyrimidin-4-yl]cyclobutanecarboxamide;N-[6-(2-methoxyphenyl)pyrimidin-4-yl]cyclohexanecarboxamide;N-[6-(2-methoxyphenyl)pyrimidin-4-yl]oxane-2-carboxamide;N-[6-(2-methoxyphenyl)pyrimidin-4-yl]-3-(2-oxopropyl)cyclohexane-1-carboxamide;N-[6-(2-methoxyphenyl)pyrimidin-4-yl]thiane-4-carboxamide;dihydrochloride.
What is the SMILES notation for 4-acetamido-N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]cyclohexane-1-carboxamide;3-amino-N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]cyclohexane-1-carboxamide;cis-(1S,2R)-2-amino-N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]cyclohexane-1-carboxamide;N-[6-(2-methoxyphenyl)pyrimidin-4-yl]cyclobutanecarboxamide;N-[6-(2-methoxyphenyl)pyrimidin-4-yl]cyclohexanecarboxamide;N-[6-(2-methoxyphenyl)pyrimidin-4-yl]oxane-2-carboxamide;N-[6-(2-methoxyphenyl)pyrimidin-4-yl]-3-(2-oxopropyl)cyclohexane-1-carboxamide;N-[6-(2-methoxyphenyl)pyrimidin-4-yl]thiane-4-carboxamide;dihydrochloride?
The canonical SMILES for 4-acetamido-N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]cyclohexane-1-carboxamide;3-amino-N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]cyclohexane-1-carboxamide;cis-(1S,2R)-2-amino-N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]cyclohexane-1-carboxamide;N-[6-(2-methoxyphenyl)pyrimidin-4-yl]cyclobutanecarboxamide;N-[6-(2-methoxyphenyl)pyrimidin-4-yl]cyclohexanecarboxamide;N-[6-(2-methoxyphenyl)pyrimidin-4-yl]oxane-2-carboxamide;N-[6-(2-methoxyphenyl)pyrimidin-4-yl]-3-(2-oxopropyl)cyclohexane-1-carboxamide;N-[6-(2-methoxyphenyl)pyrimidin-4-yl]thiane-4-carboxamide;dihydrochloride is COc1ccc(F)cc1-c1cc(NC(=O)C2CCC(NC(C)=O)CC2)ncn1.COc1ccc(F)cc1-c1cc(NC(=O)C2CCCC(N)C2)ncn1.COc1ccc(F)cc1-c1cc(NC(=O)[C@H]2CCCC[C@H]2N)ncn1.COc1ccccc1-c1cc(NC(=O)C2CCC2)ncn1.COc1ccccc1-c1cc(NC(=O)C2CCCC(CC(C)=O)C2)ncn1.COc1ccccc1-c1cc(NC(=O)C2CCCCC2)ncn1.COc1ccccc1-c1cc(NC(=O)C2CCCCO2)ncn1.COc1ccccc1-c1cc(NC(=O)C2CCSCC2)ncn1.Cl.Cl.
What is the InChIKey of 4-acetamido-N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]cyclohexane-1-carboxamide;3-amino-N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]cyclohexane-1-carboxamide;cis-(1S,2R)-2-amino-N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]cyclohexane-1-carboxamide;N-[6-(2-methoxyphenyl)pyrimidin-4-yl]cyclobutanecarboxamide;N-[6-(2-methoxyphenyl)pyrimidin-4-yl]cyclohexanecarboxamide;N-[6-(2-methoxyphenyl)pyrimidin-4-yl]oxane-2-carboxamide;N-[6-(2-methoxyphenyl)pyrimidin-4-yl]-3-(2-oxopropyl)cyclohexane-1-carboxamide;N-[6-(2-methoxyphenyl)pyrimidin-4-yl]thiane-4-carboxamide;dihydrochloride?
The InChIKey is PMLNCVIWFNZVSU-IPMFSADDSA-N. The full InChI is InChI=1S/C21H25N3O3.C20H23FN4O3.2C18H21FN4O2.C18H21N3O2.C17H19N3O3.C17H19N3O2S.C16H17N3O2.2ClH/c1-14(25)10-15-6-5-7-16(11-15)21(26)24-20-12-18(22-13-23-20)17-8-3-4-9-19(17)27-2;1-12(26)24-15-6-3-13(4-7-15)20(27)25-19-10-17(22-11-23-19)16-9-14(21)5-8-18(16)28-2;1-25-16-6-5-12(19)8-14(16)15-9-17(22-10-21-15)23-18(24)11-3-2-4-13(20)7-11;1-25-16-7-6-11(19)8-13(16)15-9-17(22-10-21-15)23-18(24)12-4-2-3-5-14(12)20;1-23-16-10-6-5-9-14(16)15-11-17(20-12-19-15)21-18(22)13-7-3-2-4-8-13;1-22-14-7-3-2-6-12(14)13-10-16(19-11-18-13)20-17(21)15-8-4-5-9-23-15;1-22-15-5-3-2-4-13(15)14-10-16(19-11-18-14)20-17(21)12-6-8-23-9-7-12;1-21-14-8-3-2-7-12(14)13-9-15(18-10-17-13)19-16(20)11-5-4-6-11;;/h3-4,8-9,12-13,15-16H,5-7,10-11H2,1-2H3,(H,22,23,24,26);5,8-11,13,15H,3-4,6-7H2,1-2H3,(H,24,26)(H,22,23,25,27);5-6,8-11,13H,2-4,7,20H2,1H3,(H,21,22,23,24);6-10,12,14H,2-5,20H2,1H3,(H,21,22,23,24);5-6,9-13H,2-4,7-8H2,1H3,(H,19,20,21,22);2-3,6-7,10-11,15H,4-5,8-9H2,1H3,(H,18,19,20,21);2-5,10-12H,6-9H2,1H3,(H,18,19,20,21);2-3,7-11H,4-6H2,1H3,(H,17,18,19,20);2*1H/t;;;12-,14+;;;;;;/m...0....../s1.
What are the key properties of 4-acetamido-N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]cyclohexane-1-carboxamide;3-amino-N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]cyclohexane-1-carboxamide;cis-(1S,2R)-2-amino-N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]cyclohexane-1-carboxamide;N-[6-(2-methoxyphenyl)pyrimidin-4-yl]cyclobutanecarboxamide;N-[6-(2-methoxyphenyl)pyrimidin-4-yl]cyclohexanecarboxamide;N-[6-(2-methoxyphenyl)pyrimidin-4-yl]oxane-2-carboxamide;N-[6-(2-methoxyphenyl)pyrimidin-4-yl]-3-(2-oxopropyl)cyclohexane-1-carboxamide;N-[6-(2-methoxyphenyl)pyrimidin-4-yl]thiane-4-carboxamide;dihydrochloride?
4-acetamido-N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]cyclohexane-1-carboxamide;3-amino-N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]cyclohexane-1-carboxamide;cis-(1S,2R)-2-amino-N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]cyclohexane-1-carboxamide;N-[6-(2-methoxyphenyl)pyrimidin-4-yl]cyclobutanecarboxamide;N-[6-(2-methoxyphenyl)pyrimidin-4-yl]cyclohexanecarboxamide;N-[6-(2-methoxyphenyl)pyrimidin-4-yl]oxane-2-carboxamide;N-[6-(2-methoxyphenyl)pyrimidin-4-yl]-3-(2-oxopropyl)cyclohexane-1-carboxamide;N-[6-(2-methoxyphenyl)pyrimidin-4-yl]thiane-4-carboxamide;dihydrochloride has a molecular weight of 2753.08 g/mol, XLogP of 25.59, 35 rotatable bonds, 11 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]cyclohexane-1-carboxamide;3-amino-N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]cyclohexane-1-carboxamide;cis-(1S,2R)-2-amino-N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]cyclohexane-1-carboxamide;N-[6-(2-methoxyphenyl)pyrimidin-4-yl]cyclobutanecarboxamide;N-[6-(2-methoxyphenyl)pyrimidin-4-yl]cyclohexanecarboxamide;N-[6-(2-methoxyphenyl)pyrimidin-4-yl]oxane-2-carboxamide;N-[6-(2-methoxyphenyl)pyrimidin-4-yl]-3-(2-oxopropyl)cyclohexane-1-carboxamide;N-[6-(2-methoxyphenyl)pyrimidin-4-yl]thiane-4-carboxamide;dihydrochloride is sourced from PubChem (CID 158120345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).