4-chloro-2-(5-chloro-2-fluorophenyl)-5-cyclopropylpyrimidine;4-[[2-(5-chloro-2-fluorophenyl)-5-cyclopropylpyrimidin-4-yl]amino]-N-cyclopropylpyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-5-cyclopropylpyrimidin-4-yl]amino]pyridine-3-carboxylic acid;methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-cyclopropylpyrimidin-4-yl]amino]pyridine-3-carboxylate

C74H58Cl5F4N15O5 — CID 162092851

IUPAC4-chloro-2-(5-chloro-2-fluorophenyl)-5-cyclopropylpyrimidine;4-[[2-(5-chloro-2-fluorophenyl)-5-cyclopropylpyrimidin-4-yl]amino]-N-cyclopropylpyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-5-cyclopropylpyrimidin-4-yl]amino]pyridine-3-carboxylic acid;methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-cyclopropylpyrimidin-4-yl]amino]pyridine-3-carboxylate
SMILESCOC(=O)c1cnccc1Nc1nc(-c2cc(Cl)ccc2F)ncc1C1CC1.Fc1ccc(Cl)cc1-c1ncc(C2CC2)c(Cl)n1.O=C(NC1CC1)c1cnccc1Nc1nc(-c2cc(Cl)ccc2F)ncc1C1CC1.O=C(O)c1cnccc1Nc1nc(-c2cc(Cl)ccc2F)ncc1C1CC1
InChIInChI=1S/C22H19ClFN5O.C20H16ClFN4O2.C19H14ClFN4O2.C13H9Cl2FN2/c23-13-3-6-18(24)15(9-13)20-26-11-16(12-1-2-12)21(29-20)28-19-7-8-25-10-17(19)22(30)27-14-4-5-14;1-28-20(27)15-9-23-7-6-17(15)25-19-14(11-2-3-11)10-24-18(26-19)13-8-12(21)4-5-16(13)22;20-11-3-4-15(21)12(7-11)17-23-9-13(10-1-2-10)18(25-17)24-16-5-6-22-8-14(16)19(26)27;14-8-3-4-11(16)9(5-8)13-17-6-10(7-1-2-7)12(15)18-13/h3,6-12,14H,1-2,4-5H2,(H,27,30)(H,25,26,28,29);4-11H,2-3H2,1H3,(H,23,24,25,26);3-10H,1-2H2,(H,26,27)(H,22,23,24,25);3-7H,1-2H2
InChIKeyZDVSZIKXTGEAPY-UHFFFAOYSA-N
MW1490.63 g/mol
LogP18.70
Rot. Bonds18

About 4-chloro-2-(5-chloro-2-fluorophenyl)-5-cyclopropylpyrimidine;4-[[2-(5-chloro-2-fluorophenyl)-5-cyclopropylpyrimidin-4-yl]amino]-N-cyclopropylpyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-5-cyclopropylpyrimidin-4-yl]amino]pyridine-3-carboxylic acid;methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-cyclopropylpyrimidin-4-yl]amino]pyridine-3-carboxylate

4-chloro-2-(5-chloro-2-fluorophenyl)-5-cyclopropylpyrimidine;4-[[2-(5-chloro-2-fluorophenyl)-5-cyclopropylpyrimidin-4-yl]amino]-N-cyclopropylpyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-5-cyclopropylpyrimidin-4-yl]amino]pyridine-3-carboxylic acid;methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-cyclopropylpyrimidin-4-yl]amino]pyridine-3-carboxylate (PubChem CID 162092851) has the molecular formula C74H58Cl5F4N15O5 and a molecular weight of 1490.63 g/mol. Its IUPAC name is 4-chloro-2-(5-chloro-2-fluorophenyl)-5-cyclopropylpyrimidine;4-[[2-(5-chloro-2-fluorophenyl)-5-cyclopropylpyrimidin-4-yl]amino]-N-cyclopropylpyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-5-cyclopropylpyrimidin-4-yl]amino]pyridine-3-carboxylic acid;methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-cyclopropylpyrimidin-4-yl]amino]pyridine-3-carboxylate.

Molecular Properties

Compound Name4-chloro-2-(5-chloro-2-fluorophenyl)-5-cyclopropylpyrimidine;4-[[2-(5-chloro-2-fluorophenyl)-5-cyclopropylpyrimidin-4-yl]amino]-N-cyclopropylpyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-5-cyclopropylpyrimidin-4-yl]amino]pyridine-3-carboxylic acid;methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-cyclopropylpyrimidin-4-yl]amino]pyridine-3-carboxylate
PubChem CID162092851
Molecular FormulaC74H58Cl5F4N15O5
Molecular Weight1490.63 g/mol
Exact Mass1487.31
IUPAC Name4-chloro-2-(5-chloro-2-fluorophenyl)-5-cyclopropylpyrimidine;4-[[2-(5-chloro-2-fluorophenyl)-5-cyclopropylpyrimidin-4-yl]amino]-N-cyclopropylpyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-5-cyclopropylpyrimidin-4-yl]amino]pyridine-3-carboxylic acid;methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-cyclopropylpyrimidin-4-yl]amino]pyridine-3-carboxylate
SMILESCOC(=O)c1cnccc1Nc1nc(-c2cc(Cl)ccc2F)ncc1C1CC1.Fc1ccc(Cl)cc1-c1ncc(C2CC2)c(Cl)n1.O=C(NC1CC1)c1cnccc1Nc1nc(-c2cc(Cl)ccc2F)ncc1C1CC1.O=C(O)c1cnccc1Nc1nc(-c2cc(Cl)ccc2F)ncc1C1CC1
InChIInChI=1S/C22H19ClFN5O.C20H16ClFN4O2.C19H14ClFN4O2.C13H9Cl2FN2/c23-13-3-6-18(24)15(9-13)20-26-11-16(12-1-2-12)21(29-20)28-19-7-8-25-10-17(19)22(30)27-14-4-5-14;1-28-20(27)15-9-23-7-6-17(15)25-19-14(11-2-3-11)10-24-18(26-19)13-8-12(21)4-5-16(13)22;20-11-3-4-15(21)12(7-11)17-23-9-13(10-1-2-10)18(25-17)24-16-5-6-22-8-14(16)19(26)27;14-8-3-4-11(16)9(5-8)13-17-6-10(7-1-2-7)12(15)18-13/h3,6-12,14H,1-2,4-5H2,(H,27,30)(H,25,26,28,29);4-11H,2-3H2,1H3,(H,23,24,25,26);3-10H,1-2H2,(H,26,27)(H,22,23,24,25);3-7H,1-2H2
InChIKeyZDVSZIKXTGEAPY-UHFFFAOYSA-N
XLogP18.70
TPSA270.58 Ų
H-Bond Donors5
H-Bond Acceptors18
Rotatable Bonds18
Heavy Atoms103
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001490.63
LogP ≤ 518.70
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1018

Analyze 4-chloro-2-(5-chloro-2-fluorophenyl)-5-cyclopropylpyrimidine;4-[[2-(5-chloro-2-fluorophenyl)-5-cyclopropylpyrimidin-4-yl]amino]-N-cyclopropylpyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-5-cyclopropylpyrimidin-4-yl]amino]pyridine-3-carboxylic acid;methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-cyclopropylpyrimidin-4-yl]amino]pyridine-3-carboxylate with MolForge

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Related Compounds

Methyl 4-[[7-[benzyl(methyl)amino]-2-(5-chloro-2-fluoro-phenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]pyridine-3-carboxylate
CID 11989324
Methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-cyclopropylpyrimidin-4-yl]amino]pyridine-3-carboxylate
CID 60100680
[(2S)-1-[[4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-ylpyrimidin-4-yl]amino]pyridine-3-carbonyl]amino]propan-2-yl] 1-methylpyridin-1-ium-3-carboxylate
CID 130430362
[(2R)-1-[[4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-ylpyrimidin-4-yl]amino]pyridine-3-carbonyl]amino]propan-2-yl] 1-methylpyridin-1-ium-3-carboxylate
CID 130430363
1-[[4-[[2-(5-Chloro-2-fluorophenyl)-5-propan-2-ylpyrimidin-4-yl]amino]pyridine-3-carbonyl]amino]propan-2-yl 1-methylpyridin-1-ium-3-carboxylate
CID 130430371
6-[[6-[(4-Chlorophenyl)methylamino]-2-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]amino]pyridine-3-carboxylic acid;methyl 6-[[6-[(4-chlorophenyl)methylamino]-2-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]amino]pyridine-3-carboxylate
CID 157185311
4-[[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]amino]-N-methylpyridine-3-carboxamide;2-N-[2-[2-fluoro-5-(trifluoromethyl)phenyl]quinolin-4-yl]-1,3,5-triazine-2,4-diamine;methyl 4-[[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]amino]pyridine-3-carboxylate
CID 157831341
4-[[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]amino]-N-methylpyridine-3-carboxamide;[4-[[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]amino]-3-pyridinyl]methanol;2-N-[2-[2-fluoro-5-(trifluoromethyl)phenyl]quinolin-4-yl]-1,3,5-triazine-2,4-diamine
CID 157868186
4-[[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]amino]-N-methylpyridine-3-carboxamide;[4-[[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]amino]-3-pyridinyl]methanol;2-N-[3-(dimethylamino)propyl]-4-N-[2-(2-fluorophenyl)quinolin-4-yl]pyridine-2,4-diamine;2-N-[2-[2-fluoro-5-(trifluoromethyl)phenyl]quinolin-4-yl]-1,3,5-triazine-2,4-diamine
CID 158326638
6-[[6-[(4-chlorophenyl)methylamino]-2-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]amino]-N-(2,2-dimethylbutyl)pyridine-3-carboxamide;6-[[6-[(4-chlorophenyl)methylamino]-2-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]amino]pyridine-3-carboxylic acid
CID 160133292
2-chloro-4-methyl-6-(trifluoromethyl)pyridine-3-carbonitrile;2-chloro-6-(trifluoromethyl)pyridine-3-carboxylic acid;[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanol;[4-chloro-2-(trifluoromethyl)pyrimidin-5-yl]methanol;ethane;ethyl 4-chloro-2-(trifluoromethyl)pyrimidine-5-carboxylate;4-methyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonitrile
CID 161157896
Bis(methyl 6-[[6-[(4-chlorophenyl)methylamino]-2-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]amino]pyridine-3-carboxylate);methyl 6-[6-[(4-chlorophenyl)methylamino]-2-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]imino-1-hydroxypyridine-3-carboxylate
CID 161221542

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(5-chloro-2-fluorophenyl)-5-cyclopropylpyrimidine;4-[[2-(5-chloro-2-fluorophenyl)-5-cyclopropylpyrimidin-4-yl]amino]-N-cyclopropylpyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-5-cyclopropylpyrimidin-4-yl]amino]pyridine-3-carboxylic acid;methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-cyclopropylpyrimidin-4-yl]amino]pyridine-3-carboxylate?
The IUPAC name of 4-chloro-2-(5-chloro-2-fluorophenyl)-5-cyclopropylpyrimidine;4-[[2-(5-chloro-2-fluorophenyl)-5-cyclopropylpyrimidin-4-yl]amino]-N-cyclopropylpyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-5-cyclopropylpyrimidin-4-yl]amino]pyridine-3-carboxylic acid;methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-cyclopropylpyrimidin-4-yl]amino]pyridine-3-carboxylate (CID 162092851) is 4-chloro-2-(5-chloro-2-fluorophenyl)-5-cyclopropylpyrimidine;4-[[2-(5-chloro-2-fluorophenyl)-5-cyclopropylpyrimidin-4-yl]amino]-N-cyclopropylpyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-5-cyclopropylpyrimidin-4-yl]amino]pyridine-3-carboxylic acid;methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-cyclopropylpyrimidin-4-yl]amino]pyridine-3-carboxylate.
What is the SMILES notation for 4-chloro-2-(5-chloro-2-fluorophenyl)-5-cyclopropylpyrimidine;4-[[2-(5-chloro-2-fluorophenyl)-5-cyclopropylpyrimidin-4-yl]amino]-N-cyclopropylpyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-5-cyclopropylpyrimidin-4-yl]amino]pyridine-3-carboxylic acid;methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-cyclopropylpyrimidin-4-yl]amino]pyridine-3-carboxylate?
The canonical SMILES for 4-chloro-2-(5-chloro-2-fluorophenyl)-5-cyclopropylpyrimidine;4-[[2-(5-chloro-2-fluorophenyl)-5-cyclopropylpyrimidin-4-yl]amino]-N-cyclopropylpyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-5-cyclopropylpyrimidin-4-yl]amino]pyridine-3-carboxylic acid;methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-cyclopropylpyrimidin-4-yl]amino]pyridine-3-carboxylate is COC(=O)c1cnccc1Nc1nc(-c2cc(Cl)ccc2F)ncc1C1CC1.Fc1ccc(Cl)cc1-c1ncc(C2CC2)c(Cl)n1.O=C(NC1CC1)c1cnccc1Nc1nc(-c2cc(Cl)ccc2F)ncc1C1CC1.O=C(O)c1cnccc1Nc1nc(-c2cc(Cl)ccc2F)ncc1C1CC1.
What is the InChIKey of 4-chloro-2-(5-chloro-2-fluorophenyl)-5-cyclopropylpyrimidine;4-[[2-(5-chloro-2-fluorophenyl)-5-cyclopropylpyrimidin-4-yl]amino]-N-cyclopropylpyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-5-cyclopropylpyrimidin-4-yl]amino]pyridine-3-carboxylic acid;methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-cyclopropylpyrimidin-4-yl]amino]pyridine-3-carboxylate?
The InChIKey is ZDVSZIKXTGEAPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClFN5O.C20H16ClFN4O2.C19H14ClFN4O2.C13H9Cl2FN2/c23-13-3-6-18(24)15(9-13)20-26-11-16(12-1-2-12)21(29-20)28-19-7-8-25-10-17(19)22(30)27-14-4-5-14;1-28-20(27)15-9-23-7-6-17(15)25-19-14(11-2-3-11)10-24-18(26-19)13-8-12(21)4-5-16(13)22;20-11-3-4-15(21)12(7-11)17-23-9-13(10-1-2-10)18(25-17)24-16-5-6-22-8-14(16)19(26)27;14-8-3-4-11(16)9(5-8)13-17-6-10(7-1-2-7)12(15)18-13/h3,6-12,14H,1-2,4-5H2,(H,27,30)(H,25,26,28,29);4-11H,2-3H2,1H3,(H,23,24,25,26);3-10H,1-2H2,(H,26,27)(H,22,23,24,25);3-7H,1-2H2.
What are the key properties of 4-chloro-2-(5-chloro-2-fluorophenyl)-5-cyclopropylpyrimidine;4-[[2-(5-chloro-2-fluorophenyl)-5-cyclopropylpyrimidin-4-yl]amino]-N-cyclopropylpyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-5-cyclopropylpyrimidin-4-yl]amino]pyridine-3-carboxylic acid;methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-cyclopropylpyrimidin-4-yl]amino]pyridine-3-carboxylate?
4-chloro-2-(5-chloro-2-fluorophenyl)-5-cyclopropylpyrimidine;4-[[2-(5-chloro-2-fluorophenyl)-5-cyclopropylpyrimidin-4-yl]amino]-N-cyclopropylpyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-5-cyclopropylpyrimidin-4-yl]amino]pyridine-3-carboxylic acid;methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-cyclopropylpyrimidin-4-yl]amino]pyridine-3-carboxylate has a molecular weight of 1490.63 g/mol, XLogP of 18.70, 18 rotatable bonds, 5 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(5-chloro-2-fluorophenyl)-5-cyclopropylpyrimidine;4-[[2-(5-chloro-2-fluorophenyl)-5-cyclopropylpyrimidin-4-yl]amino]-N-cyclopropylpyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-5-cyclopropylpyrimidin-4-yl]amino]pyridine-3-carboxylic acid;methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-cyclopropylpyrimidin-4-yl]amino]pyridine-3-carboxylate is sourced from PubChem (CID 162092851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).