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

C78H72F8N26O — CID 158230214

IUPAC6-N-(5-tert-butyl-1H-pyrazol-3-yl)-4-N-[1-(2,4-difluorophenyl)ethyl]pyrimidine-4,6-diamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]pyrimidine-4,6-diamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-(5-pyridin-2-yl-1H-pyrazol-3-yl)pyrimidine-4,6-diamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)pyrimidine-4,6-diamine
SMILESCC(Nc1cc(Nc2cc(-c3ccccn3)[nH]n2)ncn1)c1ccc(F)cc1F.CC(Nc1cc(Nc2cc(-c3ccco3)[nH]n2)ncn1)c1ccc(F)cc1F.CC(Nc1cc(Nc2cc(-c3ccncc3)[nH]n2)ncn1)c1ccc(F)cc1F.CC(Nc1cc(Nc2cc(C(C)(C)C)[nH]n2)ncn1)c1ccc(F)cc1F
InChIInChI=1S/2C20H17F2N7.C19H16F2N6O.C19H22F2N6/c1-12(15-3-2-14(21)8-16(15)22)26-18-10-19(25-11-24-18)27-20-9-17(28-29-20)13-4-6-23-7-5-13;1-12(14-6-5-13(21)8-15(14)22)26-18-10-19(25-11-24-18)27-20-9-17(28-29-20)16-4-2-3-7-23-16;1-11(13-5-4-12(20)7-14(13)21)24-17-9-18(23-10-22-17)25-19-8-15(26-27-19)16-3-2-6-28-16;1-11(13-6-5-12(20)7-14(13)21)24-16-9-17(23-10-22-16)25-18-8-15(26-27-18)19(2,3)4/h2*2-12H,1H3,(H3,24,25,26,27,28,29);2-11H,1H3,(H3,22,23,24,25,26,27);5-11H,1-4H3,(H3,22,23,24,25,26,27)
InChIKeyGEHCWVQUQYGDFB-UHFFFAOYSA-N
MW1541.60 g/mol
LogP18.26
Rot. Bonds23

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

6-N-(5-tert-butyl-1H-pyrazol-3-yl)-4-N-[1-(2,4-difluorophenyl)ethyl]pyrimidine-4,6-diamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]pyrimidine-4,6-diamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-(5-pyridin-2-yl-1H-pyrazol-3-yl)pyrimidine-4,6-diamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)pyrimidine-4,6-diamine (PubChem CID 158230214) has the molecular formula C78H72F8N26O and a molecular weight of 1541.60 g/mol. Its IUPAC name is 6-N-(5-tert-butyl-1H-pyrazol-3-yl)-4-N-[1-(2,4-difluorophenyl)ethyl]pyrimidine-4,6-diamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]pyrimidine-4,6-diamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-(5-pyridin-2-yl-1H-pyrazol-3-yl)pyrimidine-4,6-diamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-(5-tert-butyl-1H-pyrazol-3-yl)-4-N-[1-(2,4-difluorophenyl)ethyl]pyrimidine-4,6-diamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]pyrimidine-4,6-diamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-(5-pyridin-2-yl-1H-pyrazol-3-yl)pyrimidine-4,6-diamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)pyrimidine-4,6-diamine
PubChem CID158230214
Molecular FormulaC78H72F8N26O
Molecular Weight1541.60 g/mol
Exact Mass1540.63
IUPAC Name6-N-(5-tert-butyl-1H-pyrazol-3-yl)-4-N-[1-(2,4-difluorophenyl)ethyl]pyrimidine-4,6-diamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]pyrimidine-4,6-diamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-(5-pyridin-2-yl-1H-pyrazol-3-yl)pyrimidine-4,6-diamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)pyrimidine-4,6-diamine
SMILESCC(Nc1cc(Nc2cc(-c3ccccn3)[nH]n2)ncn1)c1ccc(F)cc1F.CC(Nc1cc(Nc2cc(-c3ccco3)[nH]n2)ncn1)c1ccc(F)cc1F.CC(Nc1cc(Nc2cc(-c3ccncc3)[nH]n2)ncn1)c1ccc(F)cc1F.CC(Nc1cc(Nc2cc(C(C)(C)C)[nH]n2)ncn1)c1ccc(F)cc1F
InChIInChI=1S/2C20H17F2N7.C19H16F2N6O.C19H22F2N6/c1-12(15-3-2-14(21)8-16(15)22)26-18-10-19(25-11-24-18)27-20-9-17(28-29-20)13-4-6-23-7-5-13;1-12(14-6-5-13(21)8-15(14)22)26-18-10-19(25-11-24-18)27-20-9-17(28-29-20)16-4-2-3-7-23-16;1-11(13-5-4-12(20)7-14(13)21)24-17-9-18(23-10-22-17)25-19-8-15(26-27-19)16-3-2-6-28-16;1-11(13-6-5-12(20)7-14(13)21)24-16-9-17(23-10-22-16)25-18-8-15(26-27-18)19(2,3)4/h2*2-12H,1H3,(H3,24,25,26,27,28,29);2-11H,1H3,(H3,22,23,24,25,26,27);5-11H,1-4H3,(H3,22,23,24,25,26,27)
InChIKeyGEHCWVQUQYGDFB-UHFFFAOYSA-N
XLogP18.26
TPSA353.00 Ų
H-Bond Donors12
H-Bond Acceptors23
Rotatable Bonds23
Heavy Atoms113
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001541.60
LogP ≤ 518.26
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1023

Analyze 6-N-(5-tert-butyl-1H-pyrazol-3-yl)-4-N-[1-(2,4-difluorophenyl)ethyl]pyrimidine-4,6-diamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]pyrimidine-4,6-diamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-(5-pyridin-2-yl-1H-pyrazol-3-yl)pyrimidine-4,6-diamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)pyrimidine-4,6-diamine 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-4,6-diamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]pyrimidine-4,6-diamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-(5-pyridin-2-yl-1H-pyrazol-3-yl)pyrimidine-4,6-diamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-(5-tert-butyl-1H-pyrazol-3-yl)-4-N-[1-(2,4-difluorophenyl)ethyl]pyrimidine-4,6-diamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]pyrimidine-4,6-diamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-(5-pyridin-2-yl-1H-pyrazol-3-yl)pyrimidine-4,6-diamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)pyrimidine-4,6-diamine (CID 158230214) is 6-N-(5-tert-butyl-1H-pyrazol-3-yl)-4-N-[1-(2,4-difluorophenyl)ethyl]pyrimidine-4,6-diamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]pyrimidine-4,6-diamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-(5-pyridin-2-yl-1H-pyrazol-3-yl)pyrimidine-4,6-diamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-(5-tert-butyl-1H-pyrazol-3-yl)-4-N-[1-(2,4-difluorophenyl)ethyl]pyrimidine-4,6-diamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]pyrimidine-4,6-diamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-(5-pyridin-2-yl-1H-pyrazol-3-yl)pyrimidine-4,6-diamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-(5-tert-butyl-1H-pyrazol-3-yl)-4-N-[1-(2,4-difluorophenyl)ethyl]pyrimidine-4,6-diamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]pyrimidine-4,6-diamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-(5-pyridin-2-yl-1H-pyrazol-3-yl)pyrimidine-4,6-diamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)pyrimidine-4,6-diamine is CC(Nc1cc(Nc2cc(-c3ccccn3)[nH]n2)ncn1)c1ccc(F)cc1F.CC(Nc1cc(Nc2cc(-c3ccco3)[nH]n2)ncn1)c1ccc(F)cc1F.CC(Nc1cc(Nc2cc(-c3ccncc3)[nH]n2)ncn1)c1ccc(F)cc1F.CC(Nc1cc(Nc2cc(C(C)(C)C)[nH]n2)ncn1)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-4,6-diamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]pyrimidine-4,6-diamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-(5-pyridin-2-yl-1H-pyrazol-3-yl)pyrimidine-4,6-diamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)pyrimidine-4,6-diamine?
The InChIKey is GEHCWVQUQYGDFB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H17F2N7.C19H16F2N6O.C19H22F2N6/c1-12(15-3-2-14(21)8-16(15)22)26-18-10-19(25-11-24-18)27-20-9-17(28-29-20)13-4-6-23-7-5-13;1-12(14-6-5-13(21)8-15(14)22)26-18-10-19(25-11-24-18)27-20-9-17(28-29-20)16-4-2-3-7-23-16;1-11(13-5-4-12(20)7-14(13)21)24-17-9-18(23-10-22-17)25-19-8-15(26-27-19)16-3-2-6-28-16;1-11(13-6-5-12(20)7-14(13)21)24-16-9-17(23-10-22-16)25-18-8-15(26-27-18)19(2,3)4/h2*2-12H,1H3,(H3,24,25,26,27,28,29);2-11H,1H3,(H3,22,23,24,25,26,27);5-11H,1-4H3,(H3,22,23,24,25,26,27).
What are the key properties of 6-N-(5-tert-butyl-1H-pyrazol-3-yl)-4-N-[1-(2,4-difluorophenyl)ethyl]pyrimidine-4,6-diamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]pyrimidine-4,6-diamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-(5-pyridin-2-yl-1H-pyrazol-3-yl)pyrimidine-4,6-diamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)pyrimidine-4,6-diamine?
6-N-(5-tert-butyl-1H-pyrazol-3-yl)-4-N-[1-(2,4-difluorophenyl)ethyl]pyrimidine-4,6-diamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]pyrimidine-4,6-diamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-(5-pyridin-2-yl-1H-pyrazol-3-yl)pyrimidine-4,6-diamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)pyrimidine-4,6-diamine has a molecular weight of 1541.60 g/mol, XLogP of 18.26, 23 rotatable bonds, 12 hydrogen bond donors, and 23 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-4,6-diamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]pyrimidine-4,6-diamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-(5-pyridin-2-yl-1H-pyrazol-3-yl)pyrimidine-4,6-diamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)pyrimidine-4,6-diamine is sourced from PubChem (CID 158230214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).