4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-[5-(3-fluorophenyl)-1H-pyrazol-3-yl]pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]pyrimidine-2,4,6-triamine

C85H75F11N28O — CID 158569246

IUPAC4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-[5-(3-fluorophenyl)-1H-pyrazol-3-yl]pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]pyrimidine-2,4,6-triamine
SMILESCC(Nc1cc(Nc2cc(-c3ccc(F)cc3)[nH]n2)nc(N)n1)c1ccc(F)cc1F.CC(Nc1cc(Nc2cc(-c3cccc(F)c3)[nH]n2)nc(N)n1)c1ccc(F)cc1F.CC(Nc1cc(Nc2cc(-c3ccccc3F)[nH]n2)nc(N)n1)c1ccc(F)cc1F.COc1ccc(-c2cc(Nc3cc(NC(C)c4ccc(F)cc4F)nc(N)n3)n[nH]2)cc1
InChIInChI=1S/C22H21F2N7O.3C21H18F3N7/c1-12(16-8-5-14(23)9-17(16)24)26-19-11-20(29-22(25)28-19)27-21-10-18(30-31-21)13-3-6-15(32-2)7-4-13;1-11(15-7-6-14(23)8-16(15)24)26-18-10-19(29-21(25)28-18)27-20-9-17(30-31-20)12-2-4-13(22)5-3-12;1-11(15-6-5-14(23)8-16(15)24)26-18-10-19(29-21(25)28-18)27-20-9-17(30-31-20)12-3-2-4-13(22)7-12;1-11(13-7-6-12(22)8-16(13)24)26-18-10-19(29-21(25)28-18)27-20-9-17(30-31-20)14-4-2-3-5-15(14)23/h3-12H,1-2H3,(H5,25,26,27,28,29,30,31);3*2-11H,1H3,(H5,25,26,27,28,29,30,31)
InChIKeyHRWKZGFPBOHWSL-UHFFFAOYSA-N
MW1713.71 g/mol
LogP19.00
Rot. Bonds25

About 4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-[5-(3-fluorophenyl)-1H-pyrazol-3-yl]pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]pyrimidine-2,4,6-triamine

4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-[5-(3-fluorophenyl)-1H-pyrazol-3-yl]pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]pyrimidine-2,4,6-triamine (PubChem CID 158569246) has the molecular formula C85H75F11N28O and a molecular weight of 1713.71 g/mol. Its IUPAC name is 4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-[5-(3-fluorophenyl)-1H-pyrazol-3-yl]pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]pyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-[5-(3-fluorophenyl)-1H-pyrazol-3-yl]pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]pyrimidine-2,4,6-triamine
PubChem CID158569246
Molecular FormulaC85H75F11N28O
Molecular Weight1713.71 g/mol
Exact Mass1712.65
IUPAC Name4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-[5-(3-fluorophenyl)-1H-pyrazol-3-yl]pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]pyrimidine-2,4,6-triamine
SMILESCC(Nc1cc(Nc2cc(-c3ccc(F)cc3)[nH]n2)nc(N)n1)c1ccc(F)cc1F.CC(Nc1cc(Nc2cc(-c3cccc(F)c3)[nH]n2)nc(N)n1)c1ccc(F)cc1F.CC(Nc1cc(Nc2cc(-c3ccccc3F)[nH]n2)nc(N)n1)c1ccc(F)cc1F.COc1ccc(-c2cc(Nc3cc(NC(C)c4ccc(F)cc4F)nc(N)n3)n[nH]2)cc1
InChIInChI=1S/C22H21F2N7O.3C21H18F3N7/c1-12(16-8-5-14(23)9-17(16)24)26-19-11-20(29-22(25)28-19)27-21-10-18(30-31-21)13-3-6-15(32-2)7-4-13;1-11(15-7-6-14(23)8-16(15)24)26-18-10-19(29-21(25)28-18)27-20-9-17(30-31-20)12-2-4-13(22)5-3-12;1-11(15-6-5-14(23)8-16(15)24)26-18-10-19(29-21(25)28-18)27-20-9-17(30-31-20)12-3-2-4-13(22)7-12;1-11(13-7-6-12(22)8-16(13)24)26-18-10-19(29-21(25)28-18)27-20-9-17(30-31-20)14-4-2-3-5-15(14)23/h3-12H,1-2H3,(H5,25,26,27,28,29,30,31);3*2-11H,1H3,(H5,25,26,27,28,29,30,31)
InChIKeyHRWKZGFPBOHWSL-UHFFFAOYSA-N
XLogP19.00
TPSA427.39 Ų
H-Bond Donors16
H-Bond Acceptors25
Rotatable Bonds25
Heavy Atoms125
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001713.71
LogP ≤ 519.00
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1025

Analyze 4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-[5-(3-fluorophenyl)-1H-pyrazol-3-yl]pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]pyrimidine-2,4,6-triamine with MolForge

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Related Compounds

2-N-[1-(4-fluorophenyl)ethyl]-4-N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine
CID 49835716
2-[[2-[[[4-[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-yl]morpholin-2-yl]methylamino]methyl]-4-fluoro-1H-indol-5-yl]oxy]-6-(4-methylpiperazin-1-yl)-N-[5-[(Z)-prop-1-enyl]-1H-pyrazol-3-yl]pyrimidin-4-amine
CID 123772510
2-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-[1-[[4-[2-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-[(1,5-dimethylpyrazol-3-yl)amino]pyrimidin-4-yl]-1-methylpiperazin-2-yl]methyl]-5-[(E)-prop-1-enyl]pyrazol-3-yl]-6-piperazin-1-ylpyrimidin-4-amine
CID 126732651
N-[1-[[4-[6-[(5-cyclopropyl-1-methylpyrazol-3-yl)amino]-2-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-yl]-1-methylpiperazin-2-yl]methyl]-5-methylpyrazol-3-yl]-2-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 130187697
1-[2-(3-fluoro-4-methoxyphenyl)ethyl]-2-[2-methoxy-6-[3-(5-methyl-1H-pyrazol-3-yl)phenyl]pyrimidin-4-yl]-2-[2-(4-methoxyphenyl)ethyl]-1-[2-methoxy-6-[3-(1H-tetrazol-5-yl)phenyl]pyrimidin-4-yl]hydrazine
CID 136657374
6-N-[3-[2-[[4,7-difluoro-5-[4-(3-morpholin-4-ylpropylamino)-6-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]amino]pyrimidin-2-yl]oxy-1H-indol-2-yl]methyl]morpholin-4-yl]propyl]-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-4-N-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]pyrimidine-4,6-diamine
CID 144622204
6-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine
CID 145745097
4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-1,3,5-triazin-2-amine
CID 145745115
2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-6-methyl-1,3,5-triazine-2,4-diamine
CID 145745420
2-N-[1-(4-fluorophenyl)ethyl]-4-N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4,6-triamine
CID 145745437
4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]pyrimidine-2,4,6-triamine
CID 145745439
2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4,6-triamine
CID 145745551

Frequently Asked Questions

What is the IUPAC name of 4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-[5-(3-fluorophenyl)-1H-pyrazol-3-yl]pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]pyrimidine-2,4,6-triamine?
The IUPAC name of 4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-[5-(3-fluorophenyl)-1H-pyrazol-3-yl]pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]pyrimidine-2,4,6-triamine (CID 158569246) is 4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-[5-(3-fluorophenyl)-1H-pyrazol-3-yl]pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]pyrimidine-2,4,6-triamine.
What is the SMILES notation for 4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-[5-(3-fluorophenyl)-1H-pyrazol-3-yl]pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]pyrimidine-2,4,6-triamine?
The canonical SMILES for 4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-[5-(3-fluorophenyl)-1H-pyrazol-3-yl]pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]pyrimidine-2,4,6-triamine is CC(Nc1cc(Nc2cc(-c3ccc(F)cc3)[nH]n2)nc(N)n1)c1ccc(F)cc1F.CC(Nc1cc(Nc2cc(-c3cccc(F)c3)[nH]n2)nc(N)n1)c1ccc(F)cc1F.CC(Nc1cc(Nc2cc(-c3ccccc3F)[nH]n2)nc(N)n1)c1ccc(F)cc1F.COc1ccc(-c2cc(Nc3cc(NC(C)c4ccc(F)cc4F)nc(N)n3)n[nH]2)cc1.
What is the InChIKey of 4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-[5-(3-fluorophenyl)-1H-pyrazol-3-yl]pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]pyrimidine-2,4,6-triamine?
The InChIKey is HRWKZGFPBOHWSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F2N7O.3C21H18F3N7/c1-12(16-8-5-14(23)9-17(16)24)26-19-11-20(29-22(25)28-19)27-21-10-18(30-31-21)13-3-6-15(32-2)7-4-13;1-11(15-7-6-14(23)8-16(15)24)26-18-10-19(29-21(25)28-18)27-20-9-17(30-31-20)12-2-4-13(22)5-3-12;1-11(15-6-5-14(23)8-16(15)24)26-18-10-19(29-21(25)28-18)27-20-9-17(30-31-20)12-3-2-4-13(22)7-12;1-11(13-7-6-12(22)8-16(13)24)26-18-10-19(29-21(25)28-18)27-20-9-17(30-31-20)14-4-2-3-5-15(14)23/h3-12H,1-2H3,(H5,25,26,27,28,29,30,31);3*2-11H,1H3,(H5,25,26,27,28,29,30,31).
What are the key properties of 4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-[5-(3-fluorophenyl)-1H-pyrazol-3-yl]pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]pyrimidine-2,4,6-triamine?
4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-[5-(3-fluorophenyl)-1H-pyrazol-3-yl]pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]pyrimidine-2,4,6-triamine has a molecular weight of 1713.71 g/mol, XLogP of 19.00, 25 rotatable bonds, 16 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-[5-(3-fluorophenyl)-1H-pyrazol-3-yl]pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]pyrimidine-2,4,6-triamine is sourced from PubChem (CID 158569246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).