6-(azetidin-3-yloxy)-N-(4,4-difluorocyclohexyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine;tert-butyl 3-[6-[(4,4-difluorocyclohexyl)amino]-2-(3-methylpyrazol-1-yl)pyrimidin-4-yl]oxyazetidine-1-carboxylate;tert-butyl 3-hydroxyazetidine-1-carboxylate;6-chloro-N-(4,4-difluorocyclohexyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine

C61H83ClF6N18O7 — CID 159357780

IUPAC6-(azetidin-3-yloxy)-N-(4,4-difluorocyclohexyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine;tert-butyl 3-[6-[(4,4-difluorocyclohexyl)amino]-2-(3-methylpyrazol-1-yl)pyrimidin-4-yl]oxyazetidine-1-carboxylate;tert-butyl 3-hydroxyazetidine-1-carboxylate;6-chloro-N-(4,4-difluorocyclohexyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine
SMILESCC(C)(C)OC(=O)N1CC(O)C1.Cc1ccn(-c2nc(Cl)cc(NC3CCC(F)(F)CC3)n2)n1.Cc1ccn(-c2nc(NC3CCC(F)(F)CC3)cc(OC3CN(C(=O)OC(C)(C)C)C3)n2)n1.Cc1ccn(-c2nc(NC3CCC(F)(F)CC3)cc(OC3CNC3)n2)n1
InChIInChI=1S/C22H30F2N6O3.C17H22F2N6O.C14H16ClF2N5.C8H15NO3/c1-14-7-10-30(28-14)19-26-17(25-15-5-8-22(23,24)9-6-15)11-18(27-19)32-16-12-29(13-16)20(31)33-21(2,3)4;1-11-4-7-25(24-11)16-22-14(8-15(23-16)26-13-9-20-10-13)21-12-2-5-17(18,19)6-3-12;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;1-8(2,3)12-7(11)9-4-6(10)5-9/h7,10-11,15-16H,5-6,8-9,12-13H2,1-4H3,(H,25,26,27);4,7-8,12-13,20H,2-3,5-6,9-10H2,1H3,(H,21,22,23);4,7-8,10H,2-3,5-6H2,1H3,(H,18,19,20);6,10H,4-5H2,1-3H3
InChIKeyLIDIUZVBGBQTOX-UHFFFAOYSA-N
MW1329.89 g/mol
LogP10.48
Rot. Bonds13

About 6-(azetidin-3-yloxy)-N-(4,4-difluorocyclohexyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine;tert-butyl 3-[6-[(4,4-difluorocyclohexyl)amino]-2-(3-methylpyrazol-1-yl)pyrimidin-4-yl]oxyazetidine-1-carboxylate;tert-butyl 3-hydroxyazetidine-1-carboxylate;6-chloro-N-(4,4-difluorocyclohexyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine

6-(azetidin-3-yloxy)-N-(4,4-difluorocyclohexyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine;tert-butyl 3-[6-[(4,4-difluorocyclohexyl)amino]-2-(3-methylpyrazol-1-yl)pyrimidin-4-yl]oxyazetidine-1-carboxylate;tert-butyl 3-hydroxyazetidine-1-carboxylate;6-chloro-N-(4,4-difluorocyclohexyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine (PubChem CID 159357780) has the molecular formula C61H83ClF6N18O7 and a molecular weight of 1329.89 g/mol. Its IUPAC name is 6-(azetidin-3-yloxy)-N-(4,4-difluorocyclohexyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine;tert-butyl 3-[6-[(4,4-difluorocyclohexyl)amino]-2-(3-methylpyrazol-1-yl)pyrimidin-4-yl]oxyazetidine-1-carboxylate;tert-butyl 3-hydroxyazetidine-1-carboxylate;6-chloro-N-(4,4-difluorocyclohexyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(azetidin-3-yloxy)-N-(4,4-difluorocyclohexyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine;tert-butyl 3-[6-[(4,4-difluorocyclohexyl)amino]-2-(3-methylpyrazol-1-yl)pyrimidin-4-yl]oxyazetidine-1-carboxylate;tert-butyl 3-hydroxyazetidine-1-carboxylate;6-chloro-N-(4,4-difluorocyclohexyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine
PubChem CID159357780
Molecular FormulaC61H83ClF6N18O7
Molecular Weight1329.89 g/mol
Exact Mass1328.63
IUPAC Name6-(azetidin-3-yloxy)-N-(4,4-difluorocyclohexyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine;tert-butyl 3-[6-[(4,4-difluorocyclohexyl)amino]-2-(3-methylpyrazol-1-yl)pyrimidin-4-yl]oxyazetidine-1-carboxylate;tert-butyl 3-hydroxyazetidine-1-carboxylate;6-chloro-N-(4,4-difluorocyclohexyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine
SMILESCC(C)(C)OC(=O)N1CC(O)C1.Cc1ccn(-c2nc(Cl)cc(NC3CCC(F)(F)CC3)n2)n1.Cc1ccn(-c2nc(NC3CCC(F)(F)CC3)cc(OC3CN(C(=O)OC(C)(C)C)C3)n2)n1.Cc1ccn(-c2nc(NC3CCC(F)(F)CC3)cc(OC3CNC3)n2)n1
InChIInChI=1S/C22H30F2N6O3.C17H22F2N6O.C14H16ClF2N5.C8H15NO3/c1-14-7-10-30(28-14)19-26-17(25-15-5-8-22(23,24)9-6-15)11-18(27-19)32-16-12-29(13-16)20(31)33-21(2,3)4;1-11-4-7-25(24-11)16-22-14(8-15(23-16)26-13-9-20-10-13)21-12-2-5-17(18,19)6-3-12;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;1-8(2,3)12-7(11)9-4-6(10)5-9/h7,10-11,15-16H,5-6,8-9,12-13H2,1-4H3,(H,25,26,27);4,7-8,12-13,20H,2-3,5-6,9-10H2,1H3,(H,21,22,23);4,7-8,10H,2-3,5-6H2,1H3,(H,18,19,20);6,10H,4-5H2,1-3H3
InChIKeyLIDIUZVBGBQTOX-UHFFFAOYSA-N
XLogP10.48
TPSA276.69 Ų
H-Bond Donors5
H-Bond Acceptors23
Rotatable Bonds13
Heavy Atoms93
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001329.89
LogP ≤ 510.48
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1023

Analyze 6-(azetidin-3-yloxy)-N-(4,4-difluorocyclohexyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine;tert-butyl 3-[6-[(4,4-difluorocyclohexyl)amino]-2-(3-methylpyrazol-1-yl)pyrimidin-4-yl]oxyazetidine-1-carboxylate;tert-butyl 3-hydroxyazetidine-1-carboxylate;6-chloro-N-(4,4-difluorocyclohexyl)-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

Frequently Asked Questions

What is the IUPAC name of 6-(azetidin-3-yloxy)-N-(4,4-difluorocyclohexyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine;tert-butyl 3-[6-[(4,4-difluorocyclohexyl)amino]-2-(3-methylpyrazol-1-yl)pyrimidin-4-yl]oxyazetidine-1-carboxylate;tert-butyl 3-hydroxyazetidine-1-carboxylate;6-chloro-N-(4,4-difluorocyclohexyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine?
The IUPAC name of 6-(azetidin-3-yloxy)-N-(4,4-difluorocyclohexyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine;tert-butyl 3-[6-[(4,4-difluorocyclohexyl)amino]-2-(3-methylpyrazol-1-yl)pyrimidin-4-yl]oxyazetidine-1-carboxylate;tert-butyl 3-hydroxyazetidine-1-carboxylate;6-chloro-N-(4,4-difluorocyclohexyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine (CID 159357780) is 6-(azetidin-3-yloxy)-N-(4,4-difluorocyclohexyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine;tert-butyl 3-[6-[(4,4-difluorocyclohexyl)amino]-2-(3-methylpyrazol-1-yl)pyrimidin-4-yl]oxyazetidine-1-carboxylate;tert-butyl 3-hydroxyazetidine-1-carboxylate;6-chloro-N-(4,4-difluorocyclohexyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-(azetidin-3-yloxy)-N-(4,4-difluorocyclohexyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine;tert-butyl 3-[6-[(4,4-difluorocyclohexyl)amino]-2-(3-methylpyrazol-1-yl)pyrimidin-4-yl]oxyazetidine-1-carboxylate;tert-butyl 3-hydroxyazetidine-1-carboxylate;6-chloro-N-(4,4-difluorocyclohexyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine?
The canonical SMILES for 6-(azetidin-3-yloxy)-N-(4,4-difluorocyclohexyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine;tert-butyl 3-[6-[(4,4-difluorocyclohexyl)amino]-2-(3-methylpyrazol-1-yl)pyrimidin-4-yl]oxyazetidine-1-carboxylate;tert-butyl 3-hydroxyazetidine-1-carboxylate;6-chloro-N-(4,4-difluorocyclohexyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine is CC(C)(C)OC(=O)N1CC(O)C1.Cc1ccn(-c2nc(Cl)cc(NC3CCC(F)(F)CC3)n2)n1.Cc1ccn(-c2nc(NC3CCC(F)(F)CC3)cc(OC3CN(C(=O)OC(C)(C)C)C3)n2)n1.Cc1ccn(-c2nc(NC3CCC(F)(F)CC3)cc(OC3CNC3)n2)n1.
What is the InChIKey of 6-(azetidin-3-yloxy)-N-(4,4-difluorocyclohexyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine;tert-butyl 3-[6-[(4,4-difluorocyclohexyl)amino]-2-(3-methylpyrazol-1-yl)pyrimidin-4-yl]oxyazetidine-1-carboxylate;tert-butyl 3-hydroxyazetidine-1-carboxylate;6-chloro-N-(4,4-difluorocyclohexyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine?
The InChIKey is LIDIUZVBGBQTOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30F2N6O3.C17H22F2N6O.C14H16ClF2N5.C8H15NO3/c1-14-7-10-30(28-14)19-26-17(25-15-5-8-22(23,24)9-6-15)11-18(27-19)32-16-12-29(13-16)20(31)33-21(2,3)4;1-11-4-7-25(24-11)16-22-14(8-15(23-16)26-13-9-20-10-13)21-12-2-5-17(18,19)6-3-12;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;1-8(2,3)12-7(11)9-4-6(10)5-9/h7,10-11,15-16H,5-6,8-9,12-13H2,1-4H3,(H,25,26,27);4,7-8,12-13,20H,2-3,5-6,9-10H2,1H3,(H,21,22,23);4,7-8,10H,2-3,5-6H2,1H3,(H,18,19,20);6,10H,4-5H2,1-3H3.
What are the key properties of 6-(azetidin-3-yloxy)-N-(4,4-difluorocyclohexyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine;tert-butyl 3-[6-[(4,4-difluorocyclohexyl)amino]-2-(3-methylpyrazol-1-yl)pyrimidin-4-yl]oxyazetidine-1-carboxylate;tert-butyl 3-hydroxyazetidine-1-carboxylate;6-chloro-N-(4,4-difluorocyclohexyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine?
6-(azetidin-3-yloxy)-N-(4,4-difluorocyclohexyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine;tert-butyl 3-[6-[(4,4-difluorocyclohexyl)amino]-2-(3-methylpyrazol-1-yl)pyrimidin-4-yl]oxyazetidine-1-carboxylate;tert-butyl 3-hydroxyazetidine-1-carboxylate;6-chloro-N-(4,4-difluorocyclohexyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine has a molecular weight of 1329.89 g/mol, XLogP of 10.48, 13 rotatable bonds, 5 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(azetidin-3-yloxy)-N-(4,4-difluorocyclohexyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine;tert-butyl 3-[6-[(4,4-difluorocyclohexyl)amino]-2-(3-methylpyrazol-1-yl)pyrimidin-4-yl]oxyazetidine-1-carboxylate;tert-butyl 3-hydroxyazetidine-1-carboxylate;6-chloro-N-(4,4-difluorocyclohexyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 159357780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).