4-chloro-2-(5-chloro-2-fluorophenyl)-N,N-dimethylpyrimidin-5-amine;2-(5-chloro-2-fluorophenyl)-5-(dimethylamino)-1H-pyrimidin-6-one;4-[[2-(5-chloro-2-fluorophenyl)-5-(dimethylamino)pyrimidin-4-yl]amino]-N-methylpyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-5-(dimethylamino)pyrimidin-4-yl]amino]pyridine-3-carboxylic acid;methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-(dimethylamino)pyrimidin-4-yl]amino]pyridine-3-carboxylate;methyl 2-(dimethylamino)acetate

C85H82Cl6F5N23O8 — CID 158038858

IUPAC4-chloro-2-(5-chloro-2-fluorophenyl)-N,N-dimethylpyrimidin-5-amine;2-(5-chloro-2-fluorophenyl)-5-(dimethylamino)-1H-pyrimidin-6-one;4-[[2-(5-chloro-2-fluorophenyl)-5-(dimethylamino)pyrimidin-4-yl]amino]-N-methylpyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-5-(dimethylamino)pyrimidin-4-yl]amino]pyridine-3-carboxylic acid;methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-(dimethylamino)pyrimidin-4-yl]amino]pyridine-3-carboxylate;methyl 2-(dimethylamino)acetate
SMILESCN(C)c1cnc(-c2cc(Cl)ccc2F)[nH]c1=O.CN(C)c1cnc(-c2cc(Cl)ccc2F)nc1Cl.CN(C)c1cnc(-c2cc(Cl)ccc2F)nc1Nc1ccncc1C(=O)O.CNC(=O)c1cnccc1Nc1nc(-c2cc(Cl)ccc2F)ncc1N(C)C.COC(=O)CN(C)C.COC(=O)c1cnccc1Nc1nc(-c2cc(Cl)ccc2F)ncc1N(C)C
InChIInChI=1S/C19H18ClFN6O.C19H17ClFN5O2.C18H15ClFN5O2.C12H10Cl2FN3.C12H11ClFN3O.C5H11NO2/c1-22-19(28)13-9-23-7-6-15(13)25-18-16(27(2)3)10-24-17(26-18)12-8-11(20)4-5-14(12)21;1-26(2)16-10-23-17(12-8-11(20)4-5-14(12)21)25-18(16)24-15-6-7-22-9-13(15)19(27)28-3;1-25(2)15-9-22-16(11-7-10(19)3-4-13(11)20)24-17(15)23-14-5-6-21-8-12(14)18(26)27;1-18(2)10-6-16-12(17-11(10)14)8-5-7(13)3-4-9(8)15;1-17(2)10-6-15-11(16-12(10)18)8-5-7(13)3-4-9(8)14;1-6(2)4-5(7)8-3/h4-10H,1-3H3,(H,22,28)(H,23,24,25,26);4-10H,1-3H3,(H,22,23,24,25);3-9H,1-2H3,(H,26,27)(H,21,22,23,24);3-6H,1-2H3;3-6H,1-2H3,(H,15,16,18);4H2,1-3H3
InChIKeyFICGTCHDUWXEPN-UHFFFAOYSA-N
MW1861.45 g/mol
LogP16.94
Rot. Bonds21

About 4-chloro-2-(5-chloro-2-fluorophenyl)-N,N-dimethylpyrimidin-5-amine;2-(5-chloro-2-fluorophenyl)-5-(dimethylamino)-1H-pyrimidin-6-one;4-[[2-(5-chloro-2-fluorophenyl)-5-(dimethylamino)pyrimidin-4-yl]amino]-N-methylpyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-5-(dimethylamino)pyrimidin-4-yl]amino]pyridine-3-carboxylic acid;methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-(dimethylamino)pyrimidin-4-yl]amino]pyridine-3-carboxylate;methyl 2-(dimethylamino)acetate

4-chloro-2-(5-chloro-2-fluorophenyl)-N,N-dimethylpyrimidin-5-amine;2-(5-chloro-2-fluorophenyl)-5-(dimethylamino)-1H-pyrimidin-6-one;4-[[2-(5-chloro-2-fluorophenyl)-5-(dimethylamino)pyrimidin-4-yl]amino]-N-methylpyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-5-(dimethylamino)pyrimidin-4-yl]amino]pyridine-3-carboxylic acid;methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-(dimethylamino)pyrimidin-4-yl]amino]pyridine-3-carboxylate;methyl 2-(dimethylamino)acetate (PubChem CID 158038858) has the molecular formula C85H82Cl6F5N23O8 and a molecular weight of 1861.45 g/mol. Its IUPAC name is 4-chloro-2-(5-chloro-2-fluorophenyl)-N,N-dimethylpyrimidin-5-amine;2-(5-chloro-2-fluorophenyl)-5-(dimethylamino)-1H-pyrimidin-6-one;4-[[2-(5-chloro-2-fluorophenyl)-5-(dimethylamino)pyrimidin-4-yl]amino]-N-methylpyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-5-(dimethylamino)pyrimidin-4-yl]amino]pyridine-3-carboxylic acid;methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-(dimethylamino)pyrimidin-4-yl]amino]pyridine-3-carboxylate;methyl 2-(dimethylamino)acetate.

Molecular Properties

Compound Name4-chloro-2-(5-chloro-2-fluorophenyl)-N,N-dimethylpyrimidin-5-amine;2-(5-chloro-2-fluorophenyl)-5-(dimethylamino)-1H-pyrimidin-6-one;4-[[2-(5-chloro-2-fluorophenyl)-5-(dimethylamino)pyrimidin-4-yl]amino]-N-methylpyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-5-(dimethylamino)pyrimidin-4-yl]amino]pyridine-3-carboxylic acid;methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-(dimethylamino)pyrimidin-4-yl]amino]pyridine-3-carboxylate;methyl 2-(dimethylamino)acetate
PubChem CID158038858
Molecular FormulaC85H82Cl6F5N23O8
Molecular Weight1861.45 g/mol
Exact Mass1857.48
IUPAC Name4-chloro-2-(5-chloro-2-fluorophenyl)-N,N-dimethylpyrimidin-5-amine;2-(5-chloro-2-fluorophenyl)-5-(dimethylamino)-1H-pyrimidin-6-one;4-[[2-(5-chloro-2-fluorophenyl)-5-(dimethylamino)pyrimidin-4-yl]amino]-N-methylpyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-5-(dimethylamino)pyrimidin-4-yl]amino]pyridine-3-carboxylic acid;methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-(dimethylamino)pyrimidin-4-yl]amino]pyridine-3-carboxylate;methyl 2-(dimethylamino)acetate
SMILESCN(C)c1cnc(-c2cc(Cl)ccc2F)[nH]c1=O.CN(C)c1cnc(-c2cc(Cl)ccc2F)nc1Cl.CN(C)c1cnc(-c2cc(Cl)ccc2F)nc1Nc1ccncc1C(=O)O.CNC(=O)c1cnccc1Nc1nc(-c2cc(Cl)ccc2F)ncc1N(C)C.COC(=O)CN(C)C.COC(=O)c1cnccc1Nc1nc(-c2cc(Cl)ccc2F)ncc1N(C)C
InChIInChI=1S/C19H18ClFN6O.C19H17ClFN5O2.C18H15ClFN5O2.C12H10Cl2FN3.C12H11ClFN3O.C5H11NO2/c1-22-19(28)13-9-23-7-6-15(13)25-18-16(27(2)3)10-24-17(26-18)12-8-11(20)4-5-14(12)21;1-26(2)16-10-23-17(12-8-11(20)4-5-14(12)21)25-18(16)24-15-6-7-22-9-13(15)19(27)28-3;1-25(2)15-9-22-16(11-7-10(19)3-4-13(11)20)24-17(15)23-14-5-6-21-8-12(14)18(26)27;1-18(2)10-6-16-12(17-11(10)14)8-5-7(13)3-4-9(8)15;1-17(2)10-6-15-11(16-12(10)18)8-5-7(13)3-4-9(8)14;1-6(2)4-5(7)8-3/h4-10H,1-3H3,(H,22,28)(H,23,24,25,26);4-10H,1-3H3,(H,22,23,24,25);3-9H,1-2H3,(H,26,27)(H,21,22,23,24);3-6H,1-2H3;3-6H,1-2H3,(H,15,16,18);4H2,1-3H3
InChIKeyFICGTCHDUWXEPN-UHFFFAOYSA-N
XLogP16.94
TPSA362.07 Ų
H-Bond Donors6
H-Bond Acceptors28
Rotatable Bonds21
Heavy Atoms127
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001861.45
LogP ≤ 516.94
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1028

Analyze 4-chloro-2-(5-chloro-2-fluorophenyl)-N,N-dimethylpyrimidin-5-amine;2-(5-chloro-2-fluorophenyl)-5-(dimethylamino)-1H-pyrimidin-6-one;4-[[2-(5-chloro-2-fluorophenyl)-5-(dimethylamino)pyrimidin-4-yl]amino]-N-methylpyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-5-(dimethylamino)pyrimidin-4-yl]amino]pyridine-3-carboxylic acid;methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-(dimethylamino)pyrimidin-4-yl]amino]pyridine-3-carboxylate;methyl 2-(dimethylamino)acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(5-chloro-2-fluorophenyl)-N,N-dimethylpyrimidin-5-amine;2-(5-chloro-2-fluorophenyl)-5-(dimethylamino)-1H-pyrimidin-6-one;4-[[2-(5-chloro-2-fluorophenyl)-5-(dimethylamino)pyrimidin-4-yl]amino]-N-methylpyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-5-(dimethylamino)pyrimidin-4-yl]amino]pyridine-3-carboxylic acid;methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-(dimethylamino)pyrimidin-4-yl]amino]pyridine-3-carboxylate;methyl 2-(dimethylamino)acetate?
The IUPAC name of 4-chloro-2-(5-chloro-2-fluorophenyl)-N,N-dimethylpyrimidin-5-amine;2-(5-chloro-2-fluorophenyl)-5-(dimethylamino)-1H-pyrimidin-6-one;4-[[2-(5-chloro-2-fluorophenyl)-5-(dimethylamino)pyrimidin-4-yl]amino]-N-methylpyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-5-(dimethylamino)pyrimidin-4-yl]amino]pyridine-3-carboxylic acid;methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-(dimethylamino)pyrimidin-4-yl]amino]pyridine-3-carboxylate;methyl 2-(dimethylamino)acetate (CID 158038858) is 4-chloro-2-(5-chloro-2-fluorophenyl)-N,N-dimethylpyrimidin-5-amine;2-(5-chloro-2-fluorophenyl)-5-(dimethylamino)-1H-pyrimidin-6-one;4-[[2-(5-chloro-2-fluorophenyl)-5-(dimethylamino)pyrimidin-4-yl]amino]-N-methylpyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-5-(dimethylamino)pyrimidin-4-yl]amino]pyridine-3-carboxylic acid;methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-(dimethylamino)pyrimidin-4-yl]amino]pyridine-3-carboxylate;methyl 2-(dimethylamino)acetate.
What is the SMILES notation for 4-chloro-2-(5-chloro-2-fluorophenyl)-N,N-dimethylpyrimidin-5-amine;2-(5-chloro-2-fluorophenyl)-5-(dimethylamino)-1H-pyrimidin-6-one;4-[[2-(5-chloro-2-fluorophenyl)-5-(dimethylamino)pyrimidin-4-yl]amino]-N-methylpyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-5-(dimethylamino)pyrimidin-4-yl]amino]pyridine-3-carboxylic acid;methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-(dimethylamino)pyrimidin-4-yl]amino]pyridine-3-carboxylate;methyl 2-(dimethylamino)acetate?
The canonical SMILES for 4-chloro-2-(5-chloro-2-fluorophenyl)-N,N-dimethylpyrimidin-5-amine;2-(5-chloro-2-fluorophenyl)-5-(dimethylamino)-1H-pyrimidin-6-one;4-[[2-(5-chloro-2-fluorophenyl)-5-(dimethylamino)pyrimidin-4-yl]amino]-N-methylpyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-5-(dimethylamino)pyrimidin-4-yl]amino]pyridine-3-carboxylic acid;methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-(dimethylamino)pyrimidin-4-yl]amino]pyridine-3-carboxylate;methyl 2-(dimethylamino)acetate is CN(C)c1cnc(-c2cc(Cl)ccc2F)[nH]c1=O.CN(C)c1cnc(-c2cc(Cl)ccc2F)nc1Cl.CN(C)c1cnc(-c2cc(Cl)ccc2F)nc1Nc1ccncc1C(=O)O.CNC(=O)c1cnccc1Nc1nc(-c2cc(Cl)ccc2F)ncc1N(C)C.COC(=O)CN(C)C.COC(=O)c1cnccc1Nc1nc(-c2cc(Cl)ccc2F)ncc1N(C)C.
What is the InChIKey of 4-chloro-2-(5-chloro-2-fluorophenyl)-N,N-dimethylpyrimidin-5-amine;2-(5-chloro-2-fluorophenyl)-5-(dimethylamino)-1H-pyrimidin-6-one;4-[[2-(5-chloro-2-fluorophenyl)-5-(dimethylamino)pyrimidin-4-yl]amino]-N-methylpyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-5-(dimethylamino)pyrimidin-4-yl]amino]pyridine-3-carboxylic acid;methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-(dimethylamino)pyrimidin-4-yl]amino]pyridine-3-carboxylate;methyl 2-(dimethylamino)acetate?
The InChIKey is FICGTCHDUWXEPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClFN6O.C19H17ClFN5O2.C18H15ClFN5O2.C12H10Cl2FN3.C12H11ClFN3O.C5H11NO2/c1-22-19(28)13-9-23-7-6-15(13)25-18-16(27(2)3)10-24-17(26-18)12-8-11(20)4-5-14(12)21;1-26(2)16-10-23-17(12-8-11(20)4-5-14(12)21)25-18(16)24-15-6-7-22-9-13(15)19(27)28-3;1-25(2)15-9-22-16(11-7-10(19)3-4-13(11)20)24-17(15)23-14-5-6-21-8-12(14)18(26)27;1-18(2)10-6-16-12(17-11(10)14)8-5-7(13)3-4-9(8)15;1-17(2)10-6-15-11(16-12(10)18)8-5-7(13)3-4-9(8)14;1-6(2)4-5(7)8-3/h4-10H,1-3H3,(H,22,28)(H,23,24,25,26);4-10H,1-3H3,(H,22,23,24,25);3-9H,1-2H3,(H,26,27)(H,21,22,23,24);3-6H,1-2H3;3-6H,1-2H3,(H,15,16,18);4H2,1-3H3.
What are the key properties of 4-chloro-2-(5-chloro-2-fluorophenyl)-N,N-dimethylpyrimidin-5-amine;2-(5-chloro-2-fluorophenyl)-5-(dimethylamino)-1H-pyrimidin-6-one;4-[[2-(5-chloro-2-fluorophenyl)-5-(dimethylamino)pyrimidin-4-yl]amino]-N-methylpyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-5-(dimethylamino)pyrimidin-4-yl]amino]pyridine-3-carboxylic acid;methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-(dimethylamino)pyrimidin-4-yl]amino]pyridine-3-carboxylate;methyl 2-(dimethylamino)acetate?
4-chloro-2-(5-chloro-2-fluorophenyl)-N,N-dimethylpyrimidin-5-amine;2-(5-chloro-2-fluorophenyl)-5-(dimethylamino)-1H-pyrimidin-6-one;4-[[2-(5-chloro-2-fluorophenyl)-5-(dimethylamino)pyrimidin-4-yl]amino]-N-methylpyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-5-(dimethylamino)pyrimidin-4-yl]amino]pyridine-3-carboxylic acid;methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-(dimethylamino)pyrimidin-4-yl]amino]pyridine-3-carboxylate;methyl 2-(dimethylamino)acetate has a molecular weight of 1861.45 g/mol, XLogP of 16.94, 21 rotatable bonds, 6 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(5-chloro-2-fluorophenyl)-N,N-dimethylpyrimidin-5-amine;2-(5-chloro-2-fluorophenyl)-5-(dimethylamino)-1H-pyrimidin-6-one;4-[[2-(5-chloro-2-fluorophenyl)-5-(dimethylamino)pyrimidin-4-yl]amino]-N-methylpyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-5-(dimethylamino)pyrimidin-4-yl]amino]pyridine-3-carboxylic acid;methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-(dimethylamino)pyrimidin-4-yl]amino]pyridine-3-carboxylate;methyl 2-(dimethylamino)acetate is sourced from PubChem (CID 158038858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).