6-amino-5-chloro-N-piperidin-4-ylpyrimidine-4-carboxamide;6-amino-5-chloropyrimidine-4-carboxylic acid;6-amino-5-chloro-N-[1-[2-[3-(trifluoromethyl)anilino]acetyl]piperidin-4-yl]pyrimidine-4-carboxamide;tert-butyl 4-[(6-amino-5-chloropyrimidine-4-carbonyl)amino]piperidine-1-carboxylate;tert-butyl 4-aminopiperidine-1-carboxylate;2-[3-(trifluoromethyl)anilino]acetic acid

C68H88Cl4F6N22O12 — CID 158927938

IUPAC6-amino-5-chloro-N-piperidin-4-ylpyrimidine-4-carboxamide;6-amino-5-chloropyrimidine-4-carboxylic acid;6-amino-5-chloro-N-[1-[2-[3-(trifluoromethyl)anilino]acetyl]piperidin-4-yl]pyrimidine-4-carboxamide;tert-butyl 4-[(6-amino-5-chloropyrimidine-4-carbonyl)amino]piperidine-1-carboxylate;tert-butyl 4-aminopiperidine-1-carboxylate;2-[3-(trifluoromethyl)anilino]acetic acid
SMILESCC(C)(C)OC(=O)N1CCC(N)CC1.CC(C)(C)OC(=O)N1CCC(NC(=O)c2ncnc(N)c2Cl)CC1.Nc1ncnc(C(=O)NC2CCN(C(=O)CNc3cccc(C(F)(F)F)c3)CC2)c1Cl.Nc1ncnc(C(=O)NC2CCNCC2)c1Cl.Nc1ncnc(C(=O)O)c1Cl.O=C(O)CNc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H20ClF3N6O2.C15H22ClN5O3.C10H14ClN5O.C10H20N2O2.C9H8F3NO2.C5H4ClN3O2/c20-15-16(26-10-27-17(15)24)18(31)28-12-4-6-29(7-5-12)14(30)9-25-13-3-1-2-11(8-13)19(21,22)23;1-15(2,3)24-14(23)21-6-4-9(5-7-21)20-13(22)11-10(16)12(17)19-8-18-11;11-7-8(14-5-15-9(7)12)10(17)16-6-1-3-13-4-2-6;1-10(2,3)14-9(13)12-6-4-8(11)5-7-12;10-9(11,12)6-2-1-3-7(4-6)13-5-8(14)15;6-2-3(5(10)11)8-1-9-4(2)7/h1-3,8,10,12,25H,4-7,9H2,(H,28,31)(H2,24,26,27);8-9H,4-7H2,1-3H3,(H,20,22)(H2,17,18,19);5-6,13H,1-4H2,(H,16,17)(H2,12,14,15);8H,4-7,11H2,1-3H3;1-4,13H,5H2,(H,14,15);1H,(H,10,11)(H2,7,8,9)
InChIKeyJIRHSZQNQHQZRH-UHFFFAOYSA-N
MW1661.39 g/mol
LogP8.56
Rot. Bonds13

About 6-amino-5-chloro-N-piperidin-4-ylpyrimidine-4-carboxamide;6-amino-5-chloropyrimidine-4-carboxylic acid;6-amino-5-chloro-N-[1-[2-[3-(trifluoromethyl)anilino]acetyl]piperidin-4-yl]pyrimidine-4-carboxamide;tert-butyl 4-[(6-amino-5-chloropyrimidine-4-carbonyl)amino]piperidine-1-carboxylate;tert-butyl 4-aminopiperidine-1-carboxylate;2-[3-(trifluoromethyl)anilino]acetic acid

6-amino-5-chloro-N-piperidin-4-ylpyrimidine-4-carboxamide;6-amino-5-chloropyrimidine-4-carboxylic acid;6-amino-5-chloro-N-[1-[2-[3-(trifluoromethyl)anilino]acetyl]piperidin-4-yl]pyrimidine-4-carboxamide;tert-butyl 4-[(6-amino-5-chloropyrimidine-4-carbonyl)amino]piperidine-1-carboxylate;tert-butyl 4-aminopiperidine-1-carboxylate;2-[3-(trifluoromethyl)anilino]acetic acid (PubChem CID 158927938) has the molecular formula C68H88Cl4F6N22O12 and a molecular weight of 1661.39 g/mol. Its IUPAC name is 6-amino-5-chloro-N-piperidin-4-ylpyrimidine-4-carboxamide;6-amino-5-chloropyrimidine-4-carboxylic acid;6-amino-5-chloro-N-[1-[2-[3-(trifluoromethyl)anilino]acetyl]piperidin-4-yl]pyrimidine-4-carboxamide;tert-butyl 4-[(6-amino-5-chloropyrimidine-4-carbonyl)amino]piperidine-1-carboxylate;tert-butyl 4-aminopiperidine-1-carboxylate;2-[3-(trifluoromethyl)anilino]acetic acid.

Molecular Properties

Compound Name6-amino-5-chloro-N-piperidin-4-ylpyrimidine-4-carboxamide;6-amino-5-chloropyrimidine-4-carboxylic acid;6-amino-5-chloro-N-[1-[2-[3-(trifluoromethyl)anilino]acetyl]piperidin-4-yl]pyrimidine-4-carboxamide;tert-butyl 4-[(6-amino-5-chloropyrimidine-4-carbonyl)amino]piperidine-1-carboxylate;tert-butyl 4-aminopiperidine-1-carboxylate;2-[3-(trifluoromethyl)anilino]acetic acid
PubChem CID158927938
Molecular FormulaC68H88Cl4F6N22O12
Molecular Weight1661.39 g/mol
Exact Mass1658.56
IUPAC Name6-amino-5-chloro-N-piperidin-4-ylpyrimidine-4-carboxamide;6-amino-5-chloropyrimidine-4-carboxylic acid;6-amino-5-chloro-N-[1-[2-[3-(trifluoromethyl)anilino]acetyl]piperidin-4-yl]pyrimidine-4-carboxamide;tert-butyl 4-[(6-amino-5-chloropyrimidine-4-carbonyl)amino]piperidine-1-carboxylate;tert-butyl 4-aminopiperidine-1-carboxylate;2-[3-(trifluoromethyl)anilino]acetic acid
SMILESCC(C)(C)OC(=O)N1CCC(N)CC1.CC(C)(C)OC(=O)N1CCC(NC(=O)c2ncnc(N)c2Cl)CC1.Nc1ncnc(C(=O)NC2CCN(C(=O)CNc3cccc(C(F)(F)F)c3)CC2)c1Cl.Nc1ncnc(C(=O)NC2CCNCC2)c1Cl.Nc1ncnc(C(=O)O)c1Cl.O=C(O)CNc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H20ClF3N6O2.C15H22ClN5O3.C10H14ClN5O.C10H20N2O2.C9H8F3NO2.C5H4ClN3O2/c20-15-16(26-10-27-17(15)24)18(31)28-12-4-6-29(7-5-12)14(30)9-25-13-3-1-2-11(8-13)19(21,22)23;1-15(2,3)24-14(23)21-6-4-9(5-7-21)20-13(22)11-10(16)12(17)19-8-18-11;11-7-8(14-5-15-9(7)12)10(17)16-6-1-3-13-4-2-6;1-10(2,3)14-9(13)12-6-4-8(11)5-7-12;10-9(11,12)6-2-1-3-7(4-6)13-5-8(14)15;6-2-3(5(10)11)8-1-9-4(2)7/h1-3,8,10,12,25H,4-7,9H2,(H,28,31)(H2,24,26,27);8-9H,4-7H2,1-3H3,(H,20,22)(H2,17,18,19);5-6,13H,1-4H2,(H,16,17)(H2,12,14,15);8H,4-7,11H2,1-3H3;1-4,13H,5H2,(H,14,15);1H,(H,10,11)(H2,7,8,9)
InChIKeyJIRHSZQNQHQZRH-UHFFFAOYSA-N
XLogP8.56
TPSA510.60 Ų
H-Bond Donors13
H-Bond Acceptors26
Rotatable Bonds13
Heavy Atoms112
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001661.39
LogP ≤ 58.56
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1026

Analyze 6-amino-5-chloro-N-piperidin-4-ylpyrimidine-4-carboxamide;6-amino-5-chloropyrimidine-4-carboxylic acid;6-amino-5-chloro-N-[1-[2-[3-(trifluoromethyl)anilino]acetyl]piperidin-4-yl]pyrimidine-4-carboxamide;tert-butyl 4-[(6-amino-5-chloropyrimidine-4-carbonyl)amino]piperidine-1-carboxylate;tert-butyl 4-aminopiperidine-1-carboxylate;2-[3-(trifluoromethyl)anilino]acetic acid with MolForge

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Related Compounds

6-Amino-5-chloropyrimidine-4-carboxylic acid;1-(6-amino-5-chloropyrimidin-4-yl)-2-piperidin-4-ylethanone;1-(6-amino-5-chloropyrimidin-4-yl)-2-[1-[2-[3-(trifluoromethyl)anilino]acetyl]piperidin-4-yl]ethanone;tert-butyl 4-[2-(6-amino-5-chloropyrimidin-4-yl)-2-oxoethyl]piperidine-1-carboxylate;tert-butyl 4-aminopiperidine-1-carboxylate;2-[3-(trifluoromethyl)anilino]acetic acid
CID 160101094
6-Amino-5-chloropyrimidine-4-carboxylic acid;2-[3-[2-(6-amino-5-chloropyrimidin-4-yl)-2-oxoethyl]piperidin-1-yl]acetic acid;1-[3-[2-(6-amino-5-chloropyrimidin-4-yl)-2-oxoethyl]piperidin-1-yl]-3-[3-(trifluoromethyl)phenyl]propan-2-one;1-(6-amino-5-chloropyrimidin-4-yl)-2-piperidin-3-ylethanone;tert-butyl 3-[2-(6-amino-5-chloropyrimidin-4-yl)-2-oxoethyl]piperidine-1-carboxylate;tert-butyl 2-[3-[2-(6-amino-5-chloropyrimidin-4-yl)-2-oxoethyl]piperidin-1-yl]acetate;tert-butyl 3-aminopiperidine-1-carboxylate;tert-butyl 2-bromoacetate;3-(trifluoromethyl)aniline
CID 161088022
6-amino-5-chloro-N-[1-(2-oxopropyl)piperidin-3-yl]pyrimidine-4-carboxamide;6-amino-5-chloro-N-[1-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]piperidin-3-yl]pyrimidine-4-carboxamide;6-amino-5-chloro-N-piperidin-3-ylpyrimidine-4-carboxamide;2-[3-[(6-amino-5-chloropyrimidine-4-carbonyl)amino]piperidin-1-yl]acetic acid;6-amino-5-chloropyrimidine-4-carboxylic acid;1-bromopropan-2-one;tert-butyl 3-[(6-amino-5-chloropyrimidine-4-carbonyl)amino]piperidine-1-carboxylate;tert-butyl 3-aminopiperidine-1-carboxylate;3-(trifluoromethyl)aniline
CID 162154282
4-tert-butylaniline;N-[[6-(4-tert-butylanilino)-3-pyridinyl]methyl]-5-methanimidoyl-6-(methylamino)pyrimidine-4-carboxamide;(6-chloro-3-pyridinyl)methanamine;N-[(6-chloro-3-pyridinyl)methyl]-5-methanimidoyl-6-(methylamino)pyrimidine-4-carboxamide;N-[(6-iodo-3-pyridinyl)methyl]-5-methanimidoyl-6-(methylamino)pyrimidine-4-carboxamide;5-methanimidoyl-6-(methylamino)pyrimidine-4-carboxylic acid
CID 158167150
6-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]pyrimidine-4-carboxamide;tert-butyl N-[6-[[(1S)-1-(4-fluorophenyl)ethyl]carbamoyl]pyrimidin-4-yl]carbamate;6-[[2-(4-fluorophenyl)acetyl]amino]-N-[(1S)-1-(4-fluorophenyl)ethyl]pyrimidine-4-carboxamide;6-[[(1S)-1-(4-fluorophenyl)ethyl]carbamoyl]pyrimidine-4-carboxylic acid;hydrochloride
CID 159721218

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-chloro-N-piperidin-4-ylpyrimidine-4-carboxamide;6-amino-5-chloropyrimidine-4-carboxylic acid;6-amino-5-chloro-N-[1-[2-[3-(trifluoromethyl)anilino]acetyl]piperidin-4-yl]pyrimidine-4-carboxamide;tert-butyl 4-[(6-amino-5-chloropyrimidine-4-carbonyl)amino]piperidine-1-carboxylate;tert-butyl 4-aminopiperidine-1-carboxylate;2-[3-(trifluoromethyl)anilino]acetic acid?
The IUPAC name of 6-amino-5-chloro-N-piperidin-4-ylpyrimidine-4-carboxamide;6-amino-5-chloropyrimidine-4-carboxylic acid;6-amino-5-chloro-N-[1-[2-[3-(trifluoromethyl)anilino]acetyl]piperidin-4-yl]pyrimidine-4-carboxamide;tert-butyl 4-[(6-amino-5-chloropyrimidine-4-carbonyl)amino]piperidine-1-carboxylate;tert-butyl 4-aminopiperidine-1-carboxylate;2-[3-(trifluoromethyl)anilino]acetic acid (CID 158927938) is 6-amino-5-chloro-N-piperidin-4-ylpyrimidine-4-carboxamide;6-amino-5-chloropyrimidine-4-carboxylic acid;6-amino-5-chloro-N-[1-[2-[3-(trifluoromethyl)anilino]acetyl]piperidin-4-yl]pyrimidine-4-carboxamide;tert-butyl 4-[(6-amino-5-chloropyrimidine-4-carbonyl)amino]piperidine-1-carboxylate;tert-butyl 4-aminopiperidine-1-carboxylate;2-[3-(trifluoromethyl)anilino]acetic acid.
What is the SMILES notation for 6-amino-5-chloro-N-piperidin-4-ylpyrimidine-4-carboxamide;6-amino-5-chloropyrimidine-4-carboxylic acid;6-amino-5-chloro-N-[1-[2-[3-(trifluoromethyl)anilino]acetyl]piperidin-4-yl]pyrimidine-4-carboxamide;tert-butyl 4-[(6-amino-5-chloropyrimidine-4-carbonyl)amino]piperidine-1-carboxylate;tert-butyl 4-aminopiperidine-1-carboxylate;2-[3-(trifluoromethyl)anilino]acetic acid?
The canonical SMILES for 6-amino-5-chloro-N-piperidin-4-ylpyrimidine-4-carboxamide;6-amino-5-chloropyrimidine-4-carboxylic acid;6-amino-5-chloro-N-[1-[2-[3-(trifluoromethyl)anilino]acetyl]piperidin-4-yl]pyrimidine-4-carboxamide;tert-butyl 4-[(6-amino-5-chloropyrimidine-4-carbonyl)amino]piperidine-1-carboxylate;tert-butyl 4-aminopiperidine-1-carboxylate;2-[3-(trifluoromethyl)anilino]acetic acid is CC(C)(C)OC(=O)N1CCC(N)CC1.CC(C)(C)OC(=O)N1CCC(NC(=O)c2ncnc(N)c2Cl)CC1.Nc1ncnc(C(=O)NC2CCN(C(=O)CNc3cccc(C(F)(F)F)c3)CC2)c1Cl.Nc1ncnc(C(=O)NC2CCNCC2)c1Cl.Nc1ncnc(C(=O)O)c1Cl.O=C(O)CNc1cccc(C(F)(F)F)c1.
What is the InChIKey of 6-amino-5-chloro-N-piperidin-4-ylpyrimidine-4-carboxamide;6-amino-5-chloropyrimidine-4-carboxylic acid;6-amino-5-chloro-N-[1-[2-[3-(trifluoromethyl)anilino]acetyl]piperidin-4-yl]pyrimidine-4-carboxamide;tert-butyl 4-[(6-amino-5-chloropyrimidine-4-carbonyl)amino]piperidine-1-carboxylate;tert-butyl 4-aminopiperidine-1-carboxylate;2-[3-(trifluoromethyl)anilino]acetic acid?
The InChIKey is JIRHSZQNQHQZRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClF3N6O2.C15H22ClN5O3.C10H14ClN5O.C10H20N2O2.C9H8F3NO2.C5H4ClN3O2/c20-15-16(26-10-27-17(15)24)18(31)28-12-4-6-29(7-5-12)14(30)9-25-13-3-1-2-11(8-13)19(21,22)23;1-15(2,3)24-14(23)21-6-4-9(5-7-21)20-13(22)11-10(16)12(17)19-8-18-11;11-7-8(14-5-15-9(7)12)10(17)16-6-1-3-13-4-2-6;1-10(2,3)14-9(13)12-6-4-8(11)5-7-12;10-9(11,12)6-2-1-3-7(4-6)13-5-8(14)15;6-2-3(5(10)11)8-1-9-4(2)7/h1-3,8,10,12,25H,4-7,9H2,(H,28,31)(H2,24,26,27);8-9H,4-7H2,1-3H3,(H,20,22)(H2,17,18,19);5-6,13H,1-4H2,(H,16,17)(H2,12,14,15);8H,4-7,11H2,1-3H3;1-4,13H,5H2,(H,14,15);1H,(H,10,11)(H2,7,8,9).
What are the key properties of 6-amino-5-chloro-N-piperidin-4-ylpyrimidine-4-carboxamide;6-amino-5-chloropyrimidine-4-carboxylic acid;6-amino-5-chloro-N-[1-[2-[3-(trifluoromethyl)anilino]acetyl]piperidin-4-yl]pyrimidine-4-carboxamide;tert-butyl 4-[(6-amino-5-chloropyrimidine-4-carbonyl)amino]piperidine-1-carboxylate;tert-butyl 4-aminopiperidine-1-carboxylate;2-[3-(trifluoromethyl)anilino]acetic acid?
6-amino-5-chloro-N-piperidin-4-ylpyrimidine-4-carboxamide;6-amino-5-chloropyrimidine-4-carboxylic acid;6-amino-5-chloro-N-[1-[2-[3-(trifluoromethyl)anilino]acetyl]piperidin-4-yl]pyrimidine-4-carboxamide;tert-butyl 4-[(6-amino-5-chloropyrimidine-4-carbonyl)amino]piperidine-1-carboxylate;tert-butyl 4-aminopiperidine-1-carboxylate;2-[3-(trifluoromethyl)anilino]acetic acid has a molecular weight of 1661.39 g/mol, XLogP of 8.56, 13 rotatable bonds, 13 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-chloro-N-piperidin-4-ylpyrimidine-4-carboxamide;6-amino-5-chloropyrimidine-4-carboxylic acid;6-amino-5-chloro-N-[1-[2-[3-(trifluoromethyl)anilino]acetyl]piperidin-4-yl]pyrimidine-4-carboxamide;tert-butyl 4-[(6-amino-5-chloropyrimidine-4-carbonyl)amino]piperidine-1-carboxylate;tert-butyl 4-aminopiperidine-1-carboxylate;2-[3-(trifluoromethyl)anilino]acetic acid is sourced from PubChem (CID 158927938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).