tert-butyl N-(3-azabicyclo[3.1.0]hexan-6-yl)carbamate;tert-butyl N-[3-[6-[(4,4-difluorocyclohexyl)amino]-2-(3-methylpyrazol-1-yl)pyrimidin-4-yl]-3-azabicyclo[3.1.0]hexan-6-yl]carbamate;6-chloro-N-(4,4-difluorocyclohexyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-6-(6-methyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine

C68H93ClF6N20O4 — CID 161129447

IUPACtert-butyl N-(3-azabicyclo[3.1.0]hexan-6-yl)carbamate;tert-butyl N-[3-[6-[(4,4-difluorocyclohexyl)amino]-2-(3-methylpyrazol-1-yl)pyrimidin-4-yl]-3-azabicyclo[3.1.0]hexan-6-yl]carbamate;6-chloro-N-(4,4-difluorocyclohexyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-6-(6-methyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine
SMILESCC(C)(C)OC(=O)NC1C2CNCC21.Cc1ccn(-c2nc(Cl)cc(NC3CCC(F)(F)CC3)n2)n1.Cc1ccn(-c2nc(NC3CCC(F)(F)CC3)cc(N3CC4C(C)C4C3)n2)n1.Cc1ccn(-c2nc(NC3CCC(F)(F)CC3)cc(N3CC4C(C3)C4NC(=O)OC(C)(C)C)n2)n1
InChIInChI=1S/C24H33F2N7O2.C20H26F2N6.C14H16ClF2N5.C10H18N2O2/c1-14-7-10-33(31-14)21-28-18(27-15-5-8-24(25,26)9-6-15)11-19(29-21)32-12-16-17(13-32)20(16)30-22(34)35-23(2,3)4;1-12-5-8-28(26-12)19-24-17(23-14-3-6-20(21,22)7-4-14)9-18(25-19)27-10-15-13(2)16(15)11-27;1-9-4-7-22(21-9)13-19-11(15)8-12(20-13)18-10-2-5-14(16,17)6-3-10;1-10(2,3)14-9(13)12-8-6-4-11-5-7(6)8/h7,10-11,15-17,20H,5-6,8-9,12-13H2,1-4H3,(H,30,34)(H,27,28,29);5,8-9,13-16H,3-4,6-7,10-11H2,1-2H3,(H,23,24,25);4,7-8,10H,2-3,5-6H2,1H3,(H,18,19,20);6-8,11H,4-5H2,1-3H3,(H,12,13)
InChIKeyULZIYIMVCCHKKP-UHFFFAOYSA-N
MW1404.07 g/mol
LogP11.93
Rot. Bonds13

About tert-butyl N-(3-azabicyclo[3.1.0]hexan-6-yl)carbamate;tert-butyl N-[3-[6-[(4,4-difluorocyclohexyl)amino]-2-(3-methylpyrazol-1-yl)pyrimidin-4-yl]-3-azabicyclo[3.1.0]hexan-6-yl]carbamate;6-chloro-N-(4,4-difluorocyclohexyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-6-(6-methyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine

tert-butyl N-(3-azabicyclo[3.1.0]hexan-6-yl)carbamate;tert-butyl N-[3-[6-[(4,4-difluorocyclohexyl)amino]-2-(3-methylpyrazol-1-yl)pyrimidin-4-yl]-3-azabicyclo[3.1.0]hexan-6-yl]carbamate;6-chloro-N-(4,4-difluorocyclohexyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-6-(6-methyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine (PubChem CID 161129447) has the molecular formula C68H93ClF6N20O4 and a molecular weight of 1404.07 g/mol. Its IUPAC name is tert-butyl N-(3-azabicyclo[3.1.0]hexan-6-yl)carbamate;tert-butyl N-[3-[6-[(4,4-difluorocyclohexyl)amino]-2-(3-methylpyrazol-1-yl)pyrimidin-4-yl]-3-azabicyclo[3.1.0]hexan-6-yl]carbamate;6-chloro-N-(4,4-difluorocyclohexyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-6-(6-methyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound Nametert-butyl N-(3-azabicyclo[3.1.0]hexan-6-yl)carbamate;tert-butyl N-[3-[6-[(4,4-difluorocyclohexyl)amino]-2-(3-methylpyrazol-1-yl)pyrimidin-4-yl]-3-azabicyclo[3.1.0]hexan-6-yl]carbamate;6-chloro-N-(4,4-difluorocyclohexyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-6-(6-methyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine
PubChem CID161129447
Molecular FormulaC68H93ClF6N20O4
Molecular Weight1404.07 g/mol
Exact Mass1402.73
IUPAC Nametert-butyl N-(3-azabicyclo[3.1.0]hexan-6-yl)carbamate;tert-butyl N-[3-[6-[(4,4-difluorocyclohexyl)amino]-2-(3-methylpyrazol-1-yl)pyrimidin-4-yl]-3-azabicyclo[3.1.0]hexan-6-yl]carbamate;6-chloro-N-(4,4-difluorocyclohexyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-6-(6-methyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine
SMILESCC(C)(C)OC(=O)NC1C2CNCC21.Cc1ccn(-c2nc(Cl)cc(NC3CCC(F)(F)CC3)n2)n1.Cc1ccn(-c2nc(NC3CCC(F)(F)CC3)cc(N3CC4C(C)C4C3)n2)n1.Cc1ccn(-c2nc(NC3CCC(F)(F)CC3)cc(N3CC4C(C3)C4NC(=O)OC(C)(C)C)n2)n1
InChIInChI=1S/C24H33F2N7O2.C20H26F2N6.C14H16ClF2N5.C10H18N2O2/c1-14-7-10-33(31-14)21-28-18(27-15-5-8-24(25,26)9-6-15)11-19(29-21)32-12-16-17(13-32)20(16)30-22(34)35-23(2,3)4;1-12-5-8-28(26-12)19-24-17(23-14-3-6-20(21,22)7-4-14)9-18(25-19)27-10-15-13(2)16(15)11-27;1-9-4-7-22(21-9)13-19-11(15)8-12(20-13)18-10-2-5-14(16,17)6-3-10;1-10(2,3)14-9(13)12-8-6-4-11-5-7(6)8/h7,10-11,15-17,20H,5-6,8-9,12-13H2,1-4H3,(H,30,34)(H,27,28,29);5,8-9,13-16H,3-4,6-7,10-11H2,1-2H3,(H,23,24,25);4,7-8,10H,2-3,5-6H2,1H3,(H,18,19,20);6-8,11H,4-5H2,1-3H3,(H,12,13)
InChIKeyULZIYIMVCCHKKP-UHFFFAOYSA-N
XLogP11.93
TPSA262.06 Ų
H-Bond Donors6
H-Bond Acceptors22
Rotatable Bonds13
Heavy Atoms99
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001404.07
LogP ≤ 511.93
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1022

Analyze tert-butyl N-(3-azabicyclo[3.1.0]hexan-6-yl)carbamate;tert-butyl N-[3-[6-[(4,4-difluorocyclohexyl)amino]-2-(3-methylpyrazol-1-yl)pyrimidin-4-yl]-3-azabicyclo[3.1.0]hexan-6-yl]carbamate;6-chloro-N-(4,4-difluorocyclohexyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-6-(6-methyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine with MolForge

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

Launch Full Analysis

Related Compounds

tert-butyl 4-[2-[(4,4-difluorocyclohexyl)amino]-6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;4-chloro-N-(4,4-difluorocyclohexyl)-6-(3-methylpyrazol-1-yl)pyrimidin-2-amine;methyl 4-[2-[(4,4-difluorocyclohexyl)amino]-6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazine-1-carboxylate
CID 158631839
Tert-butyl 4-[2-chloro-6-[(4,4-difluorocyclohexyl)amino]pyrimidin-4-yl]piperidine-1-carboxylate;tert-butyl 4-[6-[(4,4-difluorocyclohexyl)amino]-2-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperidine-1-carboxylate;methyl 4-[6-[(4,4-difluorocyclohexyl)amino]-2-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperidine-1-carboxylate
CID 158741469
Tert-butyl 4-[6-chloro-2-[(4,4-difluorocyclohexyl)amino]pyrimidin-4-yl]piperidine-1-carboxylate;tert-butyl 4-[6-[(4,4-difluorocyclohexyl)amino]-2-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperidine-1-carboxylate;methyl 4-[6-[(4,4-difluorocyclohexyl)amino]-2-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperidine-1-carboxylate
CID 161381759
tert-butyl (1R,4R)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate;tert-butyl (1R,4R)-5-[6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate;6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;6-[(1R,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine
CID 161947075

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-azabicyclo[3.1.0]hexan-6-yl)carbamate;tert-butyl N-[3-[6-[(4,4-difluorocyclohexyl)amino]-2-(3-methylpyrazol-1-yl)pyrimidin-4-yl]-3-azabicyclo[3.1.0]hexan-6-yl]carbamate;6-chloro-N-(4,4-difluorocyclohexyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-6-(6-methyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine?
The IUPAC name of tert-butyl N-(3-azabicyclo[3.1.0]hexan-6-yl)carbamate;tert-butyl N-[3-[6-[(4,4-difluorocyclohexyl)amino]-2-(3-methylpyrazol-1-yl)pyrimidin-4-yl]-3-azabicyclo[3.1.0]hexan-6-yl]carbamate;6-chloro-N-(4,4-difluorocyclohexyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-6-(6-methyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine (CID 161129447) is tert-butyl N-(3-azabicyclo[3.1.0]hexan-6-yl)carbamate;tert-butyl N-[3-[6-[(4,4-difluorocyclohexyl)amino]-2-(3-methylpyrazol-1-yl)pyrimidin-4-yl]-3-azabicyclo[3.1.0]hexan-6-yl]carbamate;6-chloro-N-(4,4-difluorocyclohexyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-6-(6-methyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine.
What is the SMILES notation for tert-butyl N-(3-azabicyclo[3.1.0]hexan-6-yl)carbamate;tert-butyl N-[3-[6-[(4,4-difluorocyclohexyl)amino]-2-(3-methylpyrazol-1-yl)pyrimidin-4-yl]-3-azabicyclo[3.1.0]hexan-6-yl]carbamate;6-chloro-N-(4,4-difluorocyclohexyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-6-(6-methyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine?
The canonical SMILES for tert-butyl N-(3-azabicyclo[3.1.0]hexan-6-yl)carbamate;tert-butyl N-[3-[6-[(4,4-difluorocyclohexyl)amino]-2-(3-methylpyrazol-1-yl)pyrimidin-4-yl]-3-azabicyclo[3.1.0]hexan-6-yl]carbamate;6-chloro-N-(4,4-difluorocyclohexyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-6-(6-methyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine is CC(C)(C)OC(=O)NC1C2CNCC21.Cc1ccn(-c2nc(Cl)cc(NC3CCC(F)(F)CC3)n2)n1.Cc1ccn(-c2nc(NC3CCC(F)(F)CC3)cc(N3CC4C(C)C4C3)n2)n1.Cc1ccn(-c2nc(NC3CCC(F)(F)CC3)cc(N3CC4C(C3)C4NC(=O)OC(C)(C)C)n2)n1.
What is the InChIKey of tert-butyl N-(3-azabicyclo[3.1.0]hexan-6-yl)carbamate;tert-butyl N-[3-[6-[(4,4-difluorocyclohexyl)amino]-2-(3-methylpyrazol-1-yl)pyrimidin-4-yl]-3-azabicyclo[3.1.0]hexan-6-yl]carbamate;6-chloro-N-(4,4-difluorocyclohexyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-6-(6-methyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine?
The InChIKey is ULZIYIMVCCHKKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33F2N7O2.C20H26F2N6.C14H16ClF2N5.C10H18N2O2/c1-14-7-10-33(31-14)21-28-18(27-15-5-8-24(25,26)9-6-15)11-19(29-21)32-12-16-17(13-32)20(16)30-22(34)35-23(2,3)4;1-12-5-8-28(26-12)19-24-17(23-14-3-6-20(21,22)7-4-14)9-18(25-19)27-10-15-13(2)16(15)11-27;1-9-4-7-22(21-9)13-19-11(15)8-12(20-13)18-10-2-5-14(16,17)6-3-10;1-10(2,3)14-9(13)12-8-6-4-11-5-7(6)8/h7,10-11,15-17,20H,5-6,8-9,12-13H2,1-4H3,(H,30,34)(H,27,28,29);5,8-9,13-16H,3-4,6-7,10-11H2,1-2H3,(H,23,24,25);4,7-8,10H,2-3,5-6H2,1H3,(H,18,19,20);6-8,11H,4-5H2,1-3H3,(H,12,13).
What are the key properties of tert-butyl N-(3-azabicyclo[3.1.0]hexan-6-yl)carbamate;tert-butyl N-[3-[6-[(4,4-difluorocyclohexyl)amino]-2-(3-methylpyrazol-1-yl)pyrimidin-4-yl]-3-azabicyclo[3.1.0]hexan-6-yl]carbamate;6-chloro-N-(4,4-difluorocyclohexyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-6-(6-methyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine?
tert-butyl N-(3-azabicyclo[3.1.0]hexan-6-yl)carbamate;tert-butyl N-[3-[6-[(4,4-difluorocyclohexyl)amino]-2-(3-methylpyrazol-1-yl)pyrimidin-4-yl]-3-azabicyclo[3.1.0]hexan-6-yl]carbamate;6-chloro-N-(4,4-difluorocyclohexyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-6-(6-methyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine has a molecular weight of 1404.07 g/mol, XLogP of 11.93, 13 rotatable bonds, 6 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-azabicyclo[3.1.0]hexan-6-yl)carbamate;tert-butyl N-[3-[6-[(4,4-difluorocyclohexyl)amino]-2-(3-methylpyrazol-1-yl)pyrimidin-4-yl]-3-azabicyclo[3.1.0]hexan-6-yl]carbamate;6-chloro-N-(4,4-difluorocyclohexyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-6-(6-methyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 161129447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).