5-chloro-2-N-[5-fluoro-2-methyl-4-(1-methylpyrazol-4-yl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[4-(1H-imidazol-2-yl)-2,5-dimethylphenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;2-N-[2-fluoro-5-methyl-4-(4-morpholin-4-ylcyclohexyl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;5-(trifluoromethyl)pyrimidine-2,4-diamine

C69H73Cl2F8N27O — CID 173050590

IUPAC5-chloro-2-N-[5-fluoro-2-methyl-4-(1-methylpyrazol-4-yl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[4-(1H-imidazol-2-yl)-2,5-dimethylphenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;2-N-[2-fluoro-5-methyl-4-(4-morpholin-4-ylcyclohexyl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCc1cc(Nc2nc(Nc3cc(C)c(-c4ncc[nH]4)cc3C)ncc2Cl)n[nH]1.Cc1cc(Nc2nc(Nc3cc(C)c(C4CCC(N5CCOCC5)CC4)cc3F)ncc2C(F)(F)F)n[nH]1.Cc1cc(Nc2nc(Nc3cc(F)c(-c4cnn(C)c4)cc3C)ncc2Cl)n[nH]1.Nc1ncc(C(F)(F)F)c(N)n1
InChIInChI=1S/C26H31F4N7O.C19H18ClFN8.C19H19ClN8.C5H5F3N4/c1-15-11-22(21(27)13-19(15)17-3-5-18(6-4-17)37-7-9-38-10-8-37)32-25-31-14-20(26(28,29)30)24(34-25)33-23-12-16(2)35-36-23;1-10-4-13(12-7-23-29(3)9-12)15(21)6-16(10)24-19-22-8-14(20)18(26-19)25-17-5-11(2)27-28-17;1-10-7-15(11(2)6-13(10)17-21-4-5-22-17)24-19-23-9-14(20)18(26-19)25-16-8-12(3)27-28-16;6-5(7,8)2-1-11-4(10)12-3(2)9/h11-14,17-18H,3-10H2,1-2H3,(H3,31,32,33,34,35,36);4-9H,1-3H3,(H3,22,24,25,26,27,28);4-9H,1-3H3,(H,21,22)(H3,23,24,25,26,27,28);1H,(H4,9,10,11,12)
InChIKeyBLPDBFQYVXSDEE-UHFFFAOYSA-N
MW1519.42 g/mol
LogP15.63
Rot. Bonds16

About 5-chloro-2-N-[5-fluoro-2-methyl-4-(1-methylpyrazol-4-yl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[4-(1H-imidazol-2-yl)-2,5-dimethylphenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;2-N-[2-fluoro-5-methyl-4-(4-morpholin-4-ylcyclohexyl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;5-(trifluoromethyl)pyrimidine-2,4-diamine

5-chloro-2-N-[5-fluoro-2-methyl-4-(1-methylpyrazol-4-yl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[4-(1H-imidazol-2-yl)-2,5-dimethylphenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;2-N-[2-fluoro-5-methyl-4-(4-morpholin-4-ylcyclohexyl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;5-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 173050590) has the molecular formula C69H73Cl2F8N27O and a molecular weight of 1519.42 g/mol. Its IUPAC name is 5-chloro-2-N-[5-fluoro-2-methyl-4-(1-methylpyrazol-4-yl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[4-(1H-imidazol-2-yl)-2,5-dimethylphenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;2-N-[2-fluoro-5-methyl-4-(4-morpholin-4-ylcyclohexyl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;5-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-chloro-2-N-[5-fluoro-2-methyl-4-(1-methylpyrazol-4-yl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[4-(1H-imidazol-2-yl)-2,5-dimethylphenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;2-N-[2-fluoro-5-methyl-4-(4-morpholin-4-ylcyclohexyl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;5-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID173050590
Molecular FormulaC69H73Cl2F8N27O
Molecular Weight1519.42 g/mol
Exact Mass1517.57
IUPAC Name5-chloro-2-N-[5-fluoro-2-methyl-4-(1-methylpyrazol-4-yl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[4-(1H-imidazol-2-yl)-2,5-dimethylphenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;2-N-[2-fluoro-5-methyl-4-(4-morpholin-4-ylcyclohexyl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCc1cc(Nc2nc(Nc3cc(C)c(-c4ncc[nH]4)cc3C)ncc2Cl)n[nH]1.Cc1cc(Nc2nc(Nc3cc(C)c(C4CCC(N5CCOCC5)CC4)cc3F)ncc2C(F)(F)F)n[nH]1.Cc1cc(Nc2nc(Nc3cc(F)c(-c4cnn(C)c4)cc3C)ncc2Cl)n[nH]1.Nc1ncc(C(F)(F)F)c(N)n1
InChIInChI=1S/C26H31F4N7O.C19H18ClFN8.C19H19ClN8.C5H5F3N4/c1-15-11-22(21(27)13-19(15)17-3-5-18(6-4-17)37-7-9-38-10-8-37)32-25-31-14-20(26(28,29)30)24(34-25)33-23-12-16(2)35-36-23;1-10-4-13(12-7-23-29(3)9-12)15(21)6-16(10)24-19-22-8-14(20)18(26-19)25-17-5-11(2)27-28-17;1-10-7-15(11(2)6-13(10)17-21-4-5-22-17)24-19-23-9-14(20)18(26-19)25-16-8-12(3)27-28-16;6-5(7,8)2-1-11-4(10)12-3(2)9/h11-14,17-18H,3-10H2,1-2H3,(H3,31,32,33,34,35,36);4-9H,1-3H3,(H3,22,24,25,26,27,28);4-9H,1-3H3,(H,21,22)(H3,23,24,25,26,27,28);1H,(H4,9,10,11,12)
InChIKeyBLPDBFQYVXSDEE-UHFFFAOYSA-N
XLogP15.63
TPSA372.35 Ų
H-Bond Donors12
H-Bond Acceptors24
Rotatable Bonds16
Heavy Atoms107
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001519.42
LogP ≤ 515.63
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1024

Analyze 5-chloro-2-N-[5-fluoro-2-methyl-4-(1-methylpyrazol-4-yl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[4-(1H-imidazol-2-yl)-2,5-dimethylphenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;2-N-[2-fluoro-5-methyl-4-(4-morpholin-4-ylcyclohexyl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;5-(trifluoromethyl)pyrimidine-2,4-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-N-[5-fluoro-2-methyl-4-(1-methylpyrazol-4-yl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[4-(1H-imidazol-2-yl)-2,5-dimethylphenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;2-N-[2-fluoro-5-methyl-4-(4-morpholin-4-ylcyclohexyl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;5-(trifluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-chloro-2-N-[5-fluoro-2-methyl-4-(1-methylpyrazol-4-yl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[4-(1H-imidazol-2-yl)-2,5-dimethylphenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;2-N-[2-fluoro-5-methyl-4-(4-morpholin-4-ylcyclohexyl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;5-(trifluoromethyl)pyrimidine-2,4-diamine (CID 173050590) is 5-chloro-2-N-[5-fluoro-2-methyl-4-(1-methylpyrazol-4-yl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[4-(1H-imidazol-2-yl)-2,5-dimethylphenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;2-N-[2-fluoro-5-methyl-4-(4-morpholin-4-ylcyclohexyl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;5-(trifluoromethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-chloro-2-N-[5-fluoro-2-methyl-4-(1-methylpyrazol-4-yl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[4-(1H-imidazol-2-yl)-2,5-dimethylphenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;2-N-[2-fluoro-5-methyl-4-(4-morpholin-4-ylcyclohexyl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;5-(trifluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-chloro-2-N-[5-fluoro-2-methyl-4-(1-methylpyrazol-4-yl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[4-(1H-imidazol-2-yl)-2,5-dimethylphenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;2-N-[2-fluoro-5-methyl-4-(4-morpholin-4-ylcyclohexyl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;5-(trifluoromethyl)pyrimidine-2,4-diamine is Cc1cc(Nc2nc(Nc3cc(C)c(-c4ncc[nH]4)cc3C)ncc2Cl)n[nH]1.Cc1cc(Nc2nc(Nc3cc(C)c(C4CCC(N5CCOCC5)CC4)cc3F)ncc2C(F)(F)F)n[nH]1.Cc1cc(Nc2nc(Nc3cc(F)c(-c4cnn(C)c4)cc3C)ncc2Cl)n[nH]1.Nc1ncc(C(F)(F)F)c(N)n1.
What is the InChIKey of 5-chloro-2-N-[5-fluoro-2-methyl-4-(1-methylpyrazol-4-yl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[4-(1H-imidazol-2-yl)-2,5-dimethylphenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;2-N-[2-fluoro-5-methyl-4-(4-morpholin-4-ylcyclohexyl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;5-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is BLPDBFQYVXSDEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31F4N7O.C19H18ClFN8.C19H19ClN8.C5H5F3N4/c1-15-11-22(21(27)13-19(15)17-3-5-18(6-4-17)37-7-9-38-10-8-37)32-25-31-14-20(26(28,29)30)24(34-25)33-23-12-16(2)35-36-23;1-10-4-13(12-7-23-29(3)9-12)15(21)6-16(10)24-19-22-8-14(20)18(26-19)25-17-5-11(2)27-28-17;1-10-7-15(11(2)6-13(10)17-21-4-5-22-17)24-19-23-9-14(20)18(26-19)25-16-8-12(3)27-28-16;6-5(7,8)2-1-11-4(10)12-3(2)9/h11-14,17-18H,3-10H2,1-2H3,(H3,31,32,33,34,35,36);4-9H,1-3H3,(H3,22,24,25,26,27,28);4-9H,1-3H3,(H,21,22)(H3,23,24,25,26,27,28);1H,(H4,9,10,11,12).
What are the key properties of 5-chloro-2-N-[5-fluoro-2-methyl-4-(1-methylpyrazol-4-yl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[4-(1H-imidazol-2-yl)-2,5-dimethylphenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;2-N-[2-fluoro-5-methyl-4-(4-morpholin-4-ylcyclohexyl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;5-(trifluoromethyl)pyrimidine-2,4-diamine?
5-chloro-2-N-[5-fluoro-2-methyl-4-(1-methylpyrazol-4-yl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[4-(1H-imidazol-2-yl)-2,5-dimethylphenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;2-N-[2-fluoro-5-methyl-4-(4-morpholin-4-ylcyclohexyl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;5-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 1519.42 g/mol, XLogP of 15.63, 16 rotatable bonds, 12 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-N-[5-fluoro-2-methyl-4-(1-methylpyrazol-4-yl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[4-(1H-imidazol-2-yl)-2,5-dimethylphenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;2-N-[2-fluoro-5-methyl-4-(4-morpholin-4-ylcyclohexyl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;5-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 173050590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).