6-N-(5-tert-butyl-1H-pyrazol-3-yl)-4-N-[1-(2,4-difluorophenyl)ethyl]pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-(5-pyridin-2-yl-1H-pyrazol-3-yl)pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)pyrimidine-2,4,6-triamine

C78H76F8N30O — CID 159256202

IUPAC6-N-(5-tert-butyl-1H-pyrazol-3-yl)-4-N-[1-(2,4-difluorophenyl)ethyl]pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-(5-pyridin-2-yl-1H-pyrazol-3-yl)pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)pyrimidine-2,4,6-triamine
SMILESCC(Nc1cc(Nc2cc(-c3ccccn3)[nH]n2)nc(N)n1)c1ccc(F)cc1F.CC(Nc1cc(Nc2cc(-c3ccco3)[nH]n2)nc(N)n1)c1ccc(F)cc1F.CC(Nc1cc(Nc2cc(-c3ccncc3)[nH]n2)nc(N)n1)c1ccc(F)cc1F.CC(Nc1cc(Nc2cc(C(C)(C)C)[nH]n2)nc(N)n1)c1ccc(F)cc1F
InChIInChI=1S/2C20H18F2N8.C19H17F2N7O.C19H23F2N7/c1-11(14-3-2-13(21)8-15(14)22)25-17-10-18(28-20(23)27-17)26-19-9-16(29-30-19)12-4-6-24-7-5-12;1-11(13-6-5-12(21)8-14(13)22)25-17-10-18(28-20(23)27-17)26-19-9-16(29-30-19)15-4-2-3-7-24-15;1-10(12-5-4-11(20)7-13(12)21)23-16-9-17(26-19(22)25-16)24-18-8-14(27-28-18)15-3-2-6-29-15;1-10(12-6-5-11(20)7-13(12)21)23-15-9-16(26-18(22)25-15)24-17-8-14(27-28-17)19(2,3)4/h2*2-11H,1H3,(H5,23,25,26,27,28,29,30);2-10H,1H3,(H5,22,23,24,25,26,27,28);5-10H,1-4H3,(H5,22,23,24,25,26,27,28)
InChIKeyKVXUBLOWFNHOEI-UHFFFAOYSA-N
MW1601.66 g/mol
LogP16.59
Rot. Bonds23

About 6-N-(5-tert-butyl-1H-pyrazol-3-yl)-4-N-[1-(2,4-difluorophenyl)ethyl]pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-(5-pyridin-2-yl-1H-pyrazol-3-yl)pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)pyrimidine-2,4,6-triamine

6-N-(5-tert-butyl-1H-pyrazol-3-yl)-4-N-[1-(2,4-difluorophenyl)ethyl]pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-(5-pyridin-2-yl-1H-pyrazol-3-yl)pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)pyrimidine-2,4,6-triamine (PubChem CID 159256202) has the molecular formula C78H76F8N30O and a molecular weight of 1601.66 g/mol. Its IUPAC name is 6-N-(5-tert-butyl-1H-pyrazol-3-yl)-4-N-[1-(2,4-difluorophenyl)ethyl]pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-(5-pyridin-2-yl-1H-pyrazol-3-yl)pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)pyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name6-N-(5-tert-butyl-1H-pyrazol-3-yl)-4-N-[1-(2,4-difluorophenyl)ethyl]pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-(5-pyridin-2-yl-1H-pyrazol-3-yl)pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)pyrimidine-2,4,6-triamine
PubChem CID159256202
Molecular FormulaC78H76F8N30O
Molecular Weight1601.66 g/mol
Exact Mass1600.67
IUPAC Name6-N-(5-tert-butyl-1H-pyrazol-3-yl)-4-N-[1-(2,4-difluorophenyl)ethyl]pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-(5-pyridin-2-yl-1H-pyrazol-3-yl)pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)pyrimidine-2,4,6-triamine
SMILESCC(Nc1cc(Nc2cc(-c3ccccn3)[nH]n2)nc(N)n1)c1ccc(F)cc1F.CC(Nc1cc(Nc2cc(-c3ccco3)[nH]n2)nc(N)n1)c1ccc(F)cc1F.CC(Nc1cc(Nc2cc(-c3ccncc3)[nH]n2)nc(N)n1)c1ccc(F)cc1F.CC(Nc1cc(Nc2cc(C(C)(C)C)[nH]n2)nc(N)n1)c1ccc(F)cc1F
InChIInChI=1S/2C20H18F2N8.C19H17F2N7O.C19H23F2N7/c1-11(14-3-2-13(21)8-15(14)22)25-17-10-18(28-20(23)27-17)26-19-9-16(29-30-19)12-4-6-24-7-5-12;1-11(13-6-5-12(21)8-14(13)22)25-17-10-18(28-20(23)27-17)26-19-9-16(29-30-19)15-4-2-3-7-24-15;1-10(12-5-4-11(20)7-13(12)21)23-16-9-17(26-19(22)25-16)24-18-8-14(27-28-18)15-3-2-6-29-15;1-10(12-6-5-11(20)7-13(12)21)23-15-9-16(26-18(22)25-15)24-17-8-14(27-28-17)19(2,3)4/h2*2-11H,1H3,(H5,23,25,26,27,28,29,30);2-10H,1H3,(H5,22,23,24,25,26,27,28);5-10H,1-4H3,(H5,22,23,24,25,26,27,28)
InChIKeyKVXUBLOWFNHOEI-UHFFFAOYSA-N
XLogP16.59
TPSA457.08 Ų
H-Bond Donors16
H-Bond Acceptors27
Rotatable Bonds23
Heavy Atoms117
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001601.66
LogP ≤ 516.59
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1027

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

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Related Compounds

N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]methyl]-1H-pyrazole-5-carboxamide
CID 58486576
N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-4-[[3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazole-5-carboxamide
CID 44251181
2-N-[(1S)-1-(4-fluorophenyl)ethyl]-4-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine
CID 49834945
2-N-[(1R)-1-(4-fluorophenyl)ethyl]-4-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine
CID 49834946
2-N-[1-(4-fluorophenyl)ethyl]-4-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine
CID 49835713
2-[(E)-2-(4-fluorophenyl)ethenyl]-4-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-6-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrimidine-4,6-diamine
CID 57757773
2-[2-(4-fluorophenyl)ethenyl]-4-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-6-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrimidine-4,6-diamine
CID 90962339
3-[6-fluoro-7-[7-[5-[4-fluoro-3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-pyridin-3-yl-1H-pyrazolo[5,4-c]pyridin-7-yl]furan-3-yl]-3H-imidazo[4,5-c]pyridin-2-yl]-1a,2-dihydro-1H-azirino[2,3-b][1,7]naphthyridin-5-yl]-N,N-dimethylcyclohepta-1,3,6-trien-1-amine
CID 145037625
N-[3-[2-[5-(5-amino-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazol-4-yl]-5-fluorophenyl]-N'-[[3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-5-pyrimidin-5-ylpyrazolo[5,4-b]pyridin-1-yl]methyl]-N'-methylethane-1,2-diamine
CID 145664901
6-[2-(2,4-difluorophenyl)pyrrolidin-1-yl]-4-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]pyrimidine-2,4-diamine
CID 145745108
4-[2-(2,4-difluorophenyl)pyrrolidin-1-yl]-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-1,3,5-triazin-2-amine
CID 145745129
6-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]pyrimidin-4-amine
CID 145745157

Frequently Asked Questions

What is the IUPAC name of 6-N-(5-tert-butyl-1H-pyrazol-3-yl)-4-N-[1-(2,4-difluorophenyl)ethyl]pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-(5-pyridin-2-yl-1H-pyrazol-3-yl)pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)pyrimidine-2,4,6-triamine?
The IUPAC name of 6-N-(5-tert-butyl-1H-pyrazol-3-yl)-4-N-[1-(2,4-difluorophenyl)ethyl]pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-(5-pyridin-2-yl-1H-pyrazol-3-yl)pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)pyrimidine-2,4,6-triamine (CID 159256202) is 6-N-(5-tert-butyl-1H-pyrazol-3-yl)-4-N-[1-(2,4-difluorophenyl)ethyl]pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-(5-pyridin-2-yl-1H-pyrazol-3-yl)pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)pyrimidine-2,4,6-triamine.
What is the SMILES notation for 6-N-(5-tert-butyl-1H-pyrazol-3-yl)-4-N-[1-(2,4-difluorophenyl)ethyl]pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-(5-pyridin-2-yl-1H-pyrazol-3-yl)pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)pyrimidine-2,4,6-triamine?
The canonical SMILES for 6-N-(5-tert-butyl-1H-pyrazol-3-yl)-4-N-[1-(2,4-difluorophenyl)ethyl]pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-(5-pyridin-2-yl-1H-pyrazol-3-yl)pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)pyrimidine-2,4,6-triamine is CC(Nc1cc(Nc2cc(-c3ccccn3)[nH]n2)nc(N)n1)c1ccc(F)cc1F.CC(Nc1cc(Nc2cc(-c3ccco3)[nH]n2)nc(N)n1)c1ccc(F)cc1F.CC(Nc1cc(Nc2cc(-c3ccncc3)[nH]n2)nc(N)n1)c1ccc(F)cc1F.CC(Nc1cc(Nc2cc(C(C)(C)C)[nH]n2)nc(N)n1)c1ccc(F)cc1F.
What is the InChIKey of 6-N-(5-tert-butyl-1H-pyrazol-3-yl)-4-N-[1-(2,4-difluorophenyl)ethyl]pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-(5-pyridin-2-yl-1H-pyrazol-3-yl)pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)pyrimidine-2,4,6-triamine?
The InChIKey is KVXUBLOWFNHOEI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H18F2N8.C19H17F2N7O.C19H23F2N7/c1-11(14-3-2-13(21)8-15(14)22)25-17-10-18(28-20(23)27-17)26-19-9-16(29-30-19)12-4-6-24-7-5-12;1-11(13-6-5-12(21)8-14(13)22)25-17-10-18(28-20(23)27-17)26-19-9-16(29-30-19)15-4-2-3-7-24-15;1-10(12-5-4-11(20)7-13(12)21)23-16-9-17(26-19(22)25-16)24-18-8-14(27-28-18)15-3-2-6-29-15;1-10(12-6-5-11(20)7-13(12)21)23-15-9-16(26-18(22)25-15)24-17-8-14(27-28-17)19(2,3)4/h2*2-11H,1H3,(H5,23,25,26,27,28,29,30);2-10H,1H3,(H5,22,23,24,25,26,27,28);5-10H,1-4H3,(H5,22,23,24,25,26,27,28).
What are the key properties of 6-N-(5-tert-butyl-1H-pyrazol-3-yl)-4-N-[1-(2,4-difluorophenyl)ethyl]pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-(5-pyridin-2-yl-1H-pyrazol-3-yl)pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)pyrimidine-2,4,6-triamine?
6-N-(5-tert-butyl-1H-pyrazol-3-yl)-4-N-[1-(2,4-difluorophenyl)ethyl]pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-(5-pyridin-2-yl-1H-pyrazol-3-yl)pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)pyrimidine-2,4,6-triamine has a molecular weight of 1601.66 g/mol, XLogP of 16.59, 23 rotatable bonds, 16 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(5-tert-butyl-1H-pyrazol-3-yl)-4-N-[1-(2,4-difluorophenyl)ethyl]pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-(5-pyridin-2-yl-1H-pyrazol-3-yl)pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)pyrimidine-2,4,6-triamine is sourced from PubChem (CID 159256202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).