N-[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]-N',N'-dimethylethane-1,2-diamine;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-tert-butylacetamide;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-cyclopropyl-N-methylacetamide;5-[4-[1-[5-(2-piperazin-1-yl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine

C97H105N33O6S — CID 158750687

IUPACN-[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]-N',N'-dimethylethane-1,2-diamine;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-tert-butylacetamide;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-cyclopropyl-N-methylacetamide;5-[4-[1-[5-(2-piperazin-1-yl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine
SMILESCC(C)(C)NC(=O)Cn1cc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)cc4)CCC3)no2)cn1.CN(C(=O)Cn1cc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)cc4)CCC3)no2)cn1)C1CC1.CN(C)CCNc1cnc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)cc4)CCC3)no2)cn1.Nc1ncc(-c2ccc(C3(c4noc(-c5cnc(N6CCNCC6)s5)n4)CCC3)cc2)cn1
InChIInChI=1S/C25H26N8O2.C25H28N8O2.C24H27N9O.C23H24N8OS/c1-32(20-7-8-20)21(34)15-33-14-18(13-29-33)22-30-23(31-35-22)25(9-2-10-25)19-5-3-16(4-6-19)17-11-27-24(26)28-12-17;1-24(2,3)31-20(34)15-33-14-18(13-29-33)21-30-22(32-35-21)25(9-4-10-25)19-7-5-16(6-8-19)17-11-27-23(26)28-12-17;1-33(2)11-10-26-20-15-27-19(14-28-20)21-31-22(32-34-21)24(8-3-9-24)18-6-4-16(5-7-18)17-12-29-23(25)30-13-17;24-21-26-12-16(13-27-21)15-2-4-17(5-3-15)23(6-1-7-23)20-29-19(32-30-20)18-14-28-22(33-18)31-10-8-25-9-11-31/h3-6,11-14,20H,2,7-10,15H2,1H3,(H2,26,27,28);5-8,11-14H,4,9-10,15H2,1-3H3,(H,31,34)(H2,26,27,28);4-7,12-15H,3,8-11H2,1-2H3,(H,26,28)(H2,25,29,30);2-5,12-14,25H,1,6-11H2,(H2,24,26,27)
InChIKeyINLCQHNGWXGMKS-UHFFFAOYSA-N
MW1861.20 g/mol
LogP12.54
Rot. Bonds26

About N-[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]-N',N'-dimethylethane-1,2-diamine;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-tert-butylacetamide;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-cyclopropyl-N-methylacetamide;5-[4-[1-[5-(2-piperazin-1-yl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine

N-[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]-N',N'-dimethylethane-1,2-diamine;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-tert-butylacetamide;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-cyclopropyl-N-methylacetamide;5-[4-[1-[5-(2-piperazin-1-yl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine (PubChem CID 158750687) has the molecular formula C97H105N33O6S and a molecular weight of 1861.20 g/mol. Its IUPAC name is N-[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]-N',N'-dimethylethane-1,2-diamine;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-tert-butylacetamide;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-cyclopropyl-N-methylacetamide;5-[4-[1-[5-(2-piperazin-1-yl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]-N',N'-dimethylethane-1,2-diamine;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-tert-butylacetamide;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-cyclopropyl-N-methylacetamide;5-[4-[1-[5-(2-piperazin-1-yl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine
PubChem CID158750687
Molecular FormulaC97H105N33O6S
Molecular Weight1861.20 g/mol
Exact Mass1859.86
IUPAC NameN-[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]-N',N'-dimethylethane-1,2-diamine;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-tert-butylacetamide;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-cyclopropyl-N-methylacetamide;5-[4-[1-[5-(2-piperazin-1-yl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine
SMILESCC(C)(C)NC(=O)Cn1cc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)cc4)CCC3)no2)cn1.CN(C(=O)Cn1cc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)cc4)CCC3)no2)cn1)C1CC1.CN(C)CCNc1cnc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)cc4)CCC3)no2)cn1.Nc1ncc(-c2ccc(C3(c4noc(-c5cnc(N6CCNCC6)s5)n4)CCC3)cc2)cn1
InChIInChI=1S/C25H26N8O2.C25H28N8O2.C24H27N9O.C23H24N8OS/c1-32(20-7-8-20)21(34)15-33-14-18(13-29-33)22-30-23(31-35-22)25(9-2-10-25)19-5-3-16(4-6-19)17-11-27-24(26)28-12-17;1-24(2,3)31-20(34)15-33-14-18(13-29-33)21-30-22(32-35-21)25(9-4-10-25)19-7-5-16(6-8-19)17-11-27-23(26)28-12-17;1-33(2)11-10-26-20-15-27-19(14-28-20)21-31-22(32-34-21)24(8-3-9-24)18-6-4-16(5-7-18)17-12-29-23(25)30-13-17;24-21-26-12-16(13-27-21)15-2-4-17(5-3-15)23(6-1-7-23)20-29-19(32-30-20)18-14-28-22(33-18)31-10-8-25-9-11-31/h3-6,11-14,20H,2,7-10,15H2,1H3,(H2,26,27,28);5-8,11-14H,4,9-10,15H2,1-3H3,(H,31,34)(H2,26,27,28);4-7,12-15H,3,8-11H2,1-2H3,(H,26,28)(H2,25,29,30);2-5,12-14,25H,1,6-11H2,(H2,24,26,27)
InChIKeyINLCQHNGWXGMKS-UHFFFAOYSA-N
XLogP12.54
TPSA517.14 Ų
H-Bond Donors7
H-Bond Acceptors38
Rotatable Bonds26
Heavy Atoms137
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001861.20
LogP ≤ 512.54
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1038

Analyze N-[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]-N',N'-dimethylethane-1,2-diamine;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-tert-butylacetamide;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-cyclopropyl-N-methylacetamide;5-[4-[1-[5-(2-piperazin-1-yl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]-N',N'-dimethylethane-1,2-diamine;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-tert-butylacetamide;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-cyclopropyl-N-methylacetamide;5-[4-[1-[5-(2-piperazin-1-yl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine?
The IUPAC name of N-[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]-N',N'-dimethylethane-1,2-diamine;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-tert-butylacetamide;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-cyclopropyl-N-methylacetamide;5-[4-[1-[5-(2-piperazin-1-yl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine (CID 158750687) is N-[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]-N',N'-dimethylethane-1,2-diamine;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-tert-butylacetamide;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-cyclopropyl-N-methylacetamide;5-[4-[1-[5-(2-piperazin-1-yl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine.
What is the SMILES notation for N-[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]-N',N'-dimethylethane-1,2-diamine;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-tert-butylacetamide;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-cyclopropyl-N-methylacetamide;5-[4-[1-[5-(2-piperazin-1-yl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine?
The canonical SMILES for N-[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]-N',N'-dimethylethane-1,2-diamine;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-tert-butylacetamide;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-cyclopropyl-N-methylacetamide;5-[4-[1-[5-(2-piperazin-1-yl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine is CC(C)(C)NC(=O)Cn1cc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)cc4)CCC3)no2)cn1.CN(C(=O)Cn1cc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)cc4)CCC3)no2)cn1)C1CC1.CN(C)CCNc1cnc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)cc4)CCC3)no2)cn1.Nc1ncc(-c2ccc(C3(c4noc(-c5cnc(N6CCNCC6)s5)n4)CCC3)cc2)cn1.
What is the InChIKey of N-[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]-N',N'-dimethylethane-1,2-diamine;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-tert-butylacetamide;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-cyclopropyl-N-methylacetamide;5-[4-[1-[5-(2-piperazin-1-yl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine?
The InChIKey is INLCQHNGWXGMKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N8O2.C25H28N8O2.C24H27N9O.C23H24N8OS/c1-32(20-7-8-20)21(34)15-33-14-18(13-29-33)22-30-23(31-35-22)25(9-2-10-25)19-5-3-16(4-6-19)17-11-27-24(26)28-12-17;1-24(2,3)31-20(34)15-33-14-18(13-29-33)21-30-22(32-35-21)25(9-4-10-25)19-7-5-16(6-8-19)17-11-27-23(26)28-12-17;1-33(2)11-10-26-20-15-27-19(14-28-20)21-31-22(32-34-21)24(8-3-9-24)18-6-4-16(5-7-18)17-12-29-23(25)30-13-17;24-21-26-12-16(13-27-21)15-2-4-17(5-3-15)23(6-1-7-23)20-29-19(32-30-20)18-14-28-22(33-18)31-10-8-25-9-11-31/h3-6,11-14,20H,2,7-10,15H2,1H3,(H2,26,27,28);5-8,11-14H,4,9-10,15H2,1-3H3,(H,31,34)(H2,26,27,28);4-7,12-15H,3,8-11H2,1-2H3,(H,26,28)(H2,25,29,30);2-5,12-14,25H,1,6-11H2,(H2,24,26,27).
What are the key properties of N-[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]-N',N'-dimethylethane-1,2-diamine;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-tert-butylacetamide;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-cyclopropyl-N-methylacetamide;5-[4-[1-[5-(2-piperazin-1-yl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine?
N-[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]-N',N'-dimethylethane-1,2-diamine;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-tert-butylacetamide;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-cyclopropyl-N-methylacetamide;5-[4-[1-[5-(2-piperazin-1-yl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine has a molecular weight of 1861.20 g/mol, XLogP of 12.54, 26 rotatable bonds, 7 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]-N',N'-dimethylethane-1,2-diamine;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-tert-butylacetamide;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-cyclopropyl-N-methylacetamide;5-[4-[1-[5-(2-piperazin-1-yl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine is sourced from PubChem (CID 158750687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).