6-(3,3-difluorocyclobutyl)oxy-N-(4,4-difluorocyclohexyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine;3-[6-[(4,4-difluorocyclohexyl)amino]-2-(3-methylpyrazol-1-yl)pyrimidin-4-yl]oxycyclobutan-1-ol;3-[6-[(4,4-difluorocyclohexyl)amino]-2-(3-methylpyrazol-1-yl)pyrimidin-4-yl]oxycyclobutan-1-one;3-[6-[(4,4-difluorocyclohexyl)amino]-2-(3-methylpyrazol-1-yl)pyrimidin-4-yl]oxy-1-methylcyclobutan-1-ol

C73H90F10N20O7 — CID 159763477

IUPAC6-(3,3-difluorocyclobutyl)oxy-N-(4,4-difluorocyclohexyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine;3-[6-[(4,4-difluorocyclohexyl)amino]-2-(3-methylpyrazol-1-yl)pyrimidin-4-yl]oxycyclobutan-1-ol;3-[6-[(4,4-difluorocyclohexyl)amino]-2-(3-methylpyrazol-1-yl)pyrimidin-4-yl]oxycyclobutan-1-one;3-[6-[(4,4-difluorocyclohexyl)amino]-2-(3-methylpyrazol-1-yl)pyrimidin-4-yl]oxy-1-methylcyclobutan-1-ol
SMILESCc1ccn(-c2nc(NC3CCC(F)(F)CC3)cc(OC3CC(=O)C3)n2)n1.Cc1ccn(-c2nc(NC3CCC(F)(F)CC3)cc(OC3CC(C)(O)C3)n2)n1.Cc1ccn(-c2nc(NC3CCC(F)(F)CC3)cc(OC3CC(F)(F)C3)n2)n1.Cc1ccn(-c2nc(NC3CCC(F)(F)CC3)cc(OC3CC(O)C3)n2)n1
InChIInChI=1S/C19H25F2N5O2.C18H21F4N5O.C18H23F2N5O2.C18H21F2N5O2/c1-12-5-8-26(25-12)17-23-15(22-13-3-6-19(20,21)7-4-13)9-16(24-17)28-14-10-18(2,27)11-14;1-11-4-7-27(26-11)16-24-14(23-12-2-5-17(19,20)6-3-12)8-15(25-16)28-13-9-18(21,22)10-13;2*1-11-4-7-25(24-11)17-22-15(21-12-2-5-18(19,20)6-3-12)10-16(23-17)27-14-8-13(26)9-14/h5,8-9,13-14,27H,3-4,6-7,10-11H2,1-2H3,(H,22,23,24);4,7-8,12-13H,2-3,5-6,9-10H2,1H3,(H,23,24,25);4,7,10,12-14,26H,2-3,5-6,8-9H2,1H3,(H,21,22,23);4,7,10,12,14H,2-3,5-6,8-9H2,1H3,(H,21,22,23)
InChIKeyNFEUTIAPNMYXBP-UHFFFAOYSA-N
MW1549.64 g/mol
LogP13.32
Rot. Bonds20

About 6-(3,3-difluorocyclobutyl)oxy-N-(4,4-difluorocyclohexyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine;3-[6-[(4,4-difluorocyclohexyl)amino]-2-(3-methylpyrazol-1-yl)pyrimidin-4-yl]oxycyclobutan-1-ol;3-[6-[(4,4-difluorocyclohexyl)amino]-2-(3-methylpyrazol-1-yl)pyrimidin-4-yl]oxycyclobutan-1-one;3-[6-[(4,4-difluorocyclohexyl)amino]-2-(3-methylpyrazol-1-yl)pyrimidin-4-yl]oxy-1-methylcyclobutan-1-ol

6-(3,3-difluorocyclobutyl)oxy-N-(4,4-difluorocyclohexyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine;3-[6-[(4,4-difluorocyclohexyl)amino]-2-(3-methylpyrazol-1-yl)pyrimidin-4-yl]oxycyclobutan-1-ol;3-[6-[(4,4-difluorocyclohexyl)amino]-2-(3-methylpyrazol-1-yl)pyrimidin-4-yl]oxycyclobutan-1-one;3-[6-[(4,4-difluorocyclohexyl)amino]-2-(3-methylpyrazol-1-yl)pyrimidin-4-yl]oxy-1-methylcyclobutan-1-ol (PubChem CID 159763477) has the molecular formula C73H90F10N20O7 and a molecular weight of 1549.64 g/mol. Its IUPAC name is 6-(3,3-difluorocyclobutyl)oxy-N-(4,4-difluorocyclohexyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine;3-[6-[(4,4-difluorocyclohexyl)amino]-2-(3-methylpyrazol-1-yl)pyrimidin-4-yl]oxycyclobutan-1-ol;3-[6-[(4,4-difluorocyclohexyl)amino]-2-(3-methylpyrazol-1-yl)pyrimidin-4-yl]oxycyclobutan-1-one;3-[6-[(4,4-difluorocyclohexyl)amino]-2-(3-methylpyrazol-1-yl)pyrimidin-4-yl]oxy-1-methylcyclobutan-1-ol.

Molecular Properties

Compound Name6-(3,3-difluorocyclobutyl)oxy-N-(4,4-difluorocyclohexyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine;3-[6-[(4,4-difluorocyclohexyl)amino]-2-(3-methylpyrazol-1-yl)pyrimidin-4-yl]oxycyclobutan-1-ol;3-[6-[(4,4-difluorocyclohexyl)amino]-2-(3-methylpyrazol-1-yl)pyrimidin-4-yl]oxycyclobutan-1-one;3-[6-[(4,4-difluorocyclohexyl)amino]-2-(3-methylpyrazol-1-yl)pyrimidin-4-yl]oxy-1-methylcyclobutan-1-ol
PubChem CID159763477
Molecular FormulaC73H90F10N20O7
Molecular Weight1549.64 g/mol
Exact Mass1548.71
IUPAC Name6-(3,3-difluorocyclobutyl)oxy-N-(4,4-difluorocyclohexyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine;3-[6-[(4,4-difluorocyclohexyl)amino]-2-(3-methylpyrazol-1-yl)pyrimidin-4-yl]oxycyclobutan-1-ol;3-[6-[(4,4-difluorocyclohexyl)amino]-2-(3-methylpyrazol-1-yl)pyrimidin-4-yl]oxycyclobutan-1-one;3-[6-[(4,4-difluorocyclohexyl)amino]-2-(3-methylpyrazol-1-yl)pyrimidin-4-yl]oxy-1-methylcyclobutan-1-ol
SMILESCc1ccn(-c2nc(NC3CCC(F)(F)CC3)cc(OC3CC(=O)C3)n2)n1.Cc1ccn(-c2nc(NC3CCC(F)(F)CC3)cc(OC3CC(C)(O)C3)n2)n1.Cc1ccn(-c2nc(NC3CCC(F)(F)CC3)cc(OC3CC(F)(F)C3)n2)n1.Cc1ccn(-c2nc(NC3CCC(F)(F)CC3)cc(OC3CC(O)C3)n2)n1
InChIInChI=1S/C19H25F2N5O2.C18H21F4N5O.C18H23F2N5O2.C18H21F2N5O2/c1-12-5-8-26(25-12)17-23-15(22-13-3-6-19(20,21)7-4-13)9-16(24-17)28-14-10-18(2,27)11-14;1-11-4-7-27(26-11)16-24-14(23-12-2-5-17(19,20)6-3-12)8-15(25-16)28-13-9-18(21,22)10-13;2*1-11-4-7-25(24-11)17-22-15(21-12-2-5-18(19,20)6-3-12)10-16(23-17)27-14-8-13(26)9-14/h5,8-9,13-14,27H,3-4,6-7,10-11H2,1-2H3,(H,22,23,24);4,7-8,12-13H,2-3,5-6,9-10H2,1H3,(H,23,24,25);4,7,10,12-14,26H,2-3,5-6,8-9H2,1H3,(H,21,22,23);4,7,10,12,14H,2-3,5-6,8-9H2,1H3,(H,21,22,23)
InChIKeyNFEUTIAPNMYXBP-UHFFFAOYSA-N
XLogP13.32
TPSA316.97 Ų
H-Bond Donors6
H-Bond Acceptors27
Rotatable Bonds20
Heavy Atoms110
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001549.64
LogP ≤ 513.32
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1027

Analyze 6-(3,3-difluorocyclobutyl)oxy-N-(4,4-difluorocyclohexyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine;3-[6-[(4,4-difluorocyclohexyl)amino]-2-(3-methylpyrazol-1-yl)pyrimidin-4-yl]oxycyclobutan-1-ol;3-[6-[(4,4-difluorocyclohexyl)amino]-2-(3-methylpyrazol-1-yl)pyrimidin-4-yl]oxycyclobutan-1-one;3-[6-[(4,4-difluorocyclohexyl)amino]-2-(3-methylpyrazol-1-yl)pyrimidin-4-yl]oxy-1-methylcyclobutan-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(3,3-difluorocyclobutyl)oxy-N-(4,4-difluorocyclohexyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine;3-[6-[(4,4-difluorocyclohexyl)amino]-2-(3-methylpyrazol-1-yl)pyrimidin-4-yl]oxycyclobutan-1-ol;3-[6-[(4,4-difluorocyclohexyl)amino]-2-(3-methylpyrazol-1-yl)pyrimidin-4-yl]oxycyclobutan-1-one;3-[6-[(4,4-difluorocyclohexyl)amino]-2-(3-methylpyrazol-1-yl)pyrimidin-4-yl]oxy-1-methylcyclobutan-1-ol?
The IUPAC name of 6-(3,3-difluorocyclobutyl)oxy-N-(4,4-difluorocyclohexyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine;3-[6-[(4,4-difluorocyclohexyl)amino]-2-(3-methylpyrazol-1-yl)pyrimidin-4-yl]oxycyclobutan-1-ol;3-[6-[(4,4-difluorocyclohexyl)amino]-2-(3-methylpyrazol-1-yl)pyrimidin-4-yl]oxycyclobutan-1-one;3-[6-[(4,4-difluorocyclohexyl)amino]-2-(3-methylpyrazol-1-yl)pyrimidin-4-yl]oxy-1-methylcyclobutan-1-ol (CID 159763477) is 6-(3,3-difluorocyclobutyl)oxy-N-(4,4-difluorocyclohexyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine;3-[6-[(4,4-difluorocyclohexyl)amino]-2-(3-methylpyrazol-1-yl)pyrimidin-4-yl]oxycyclobutan-1-ol;3-[6-[(4,4-difluorocyclohexyl)amino]-2-(3-methylpyrazol-1-yl)pyrimidin-4-yl]oxycyclobutan-1-one;3-[6-[(4,4-difluorocyclohexyl)amino]-2-(3-methylpyrazol-1-yl)pyrimidin-4-yl]oxy-1-methylcyclobutan-1-ol.
What is the SMILES notation for 6-(3,3-difluorocyclobutyl)oxy-N-(4,4-difluorocyclohexyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine;3-[6-[(4,4-difluorocyclohexyl)amino]-2-(3-methylpyrazol-1-yl)pyrimidin-4-yl]oxycyclobutan-1-ol;3-[6-[(4,4-difluorocyclohexyl)amino]-2-(3-methylpyrazol-1-yl)pyrimidin-4-yl]oxycyclobutan-1-one;3-[6-[(4,4-difluorocyclohexyl)amino]-2-(3-methylpyrazol-1-yl)pyrimidin-4-yl]oxy-1-methylcyclobutan-1-ol?
The canonical SMILES for 6-(3,3-difluorocyclobutyl)oxy-N-(4,4-difluorocyclohexyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine;3-[6-[(4,4-difluorocyclohexyl)amino]-2-(3-methylpyrazol-1-yl)pyrimidin-4-yl]oxycyclobutan-1-ol;3-[6-[(4,4-difluorocyclohexyl)amino]-2-(3-methylpyrazol-1-yl)pyrimidin-4-yl]oxycyclobutan-1-one;3-[6-[(4,4-difluorocyclohexyl)amino]-2-(3-methylpyrazol-1-yl)pyrimidin-4-yl]oxy-1-methylcyclobutan-1-ol is Cc1ccn(-c2nc(NC3CCC(F)(F)CC3)cc(OC3CC(=O)C3)n2)n1.Cc1ccn(-c2nc(NC3CCC(F)(F)CC3)cc(OC3CC(C)(O)C3)n2)n1.Cc1ccn(-c2nc(NC3CCC(F)(F)CC3)cc(OC3CC(F)(F)C3)n2)n1.Cc1ccn(-c2nc(NC3CCC(F)(F)CC3)cc(OC3CC(O)C3)n2)n1.
What is the InChIKey of 6-(3,3-difluorocyclobutyl)oxy-N-(4,4-difluorocyclohexyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine;3-[6-[(4,4-difluorocyclohexyl)amino]-2-(3-methylpyrazol-1-yl)pyrimidin-4-yl]oxycyclobutan-1-ol;3-[6-[(4,4-difluorocyclohexyl)amino]-2-(3-methylpyrazol-1-yl)pyrimidin-4-yl]oxycyclobutan-1-one;3-[6-[(4,4-difluorocyclohexyl)amino]-2-(3-methylpyrazol-1-yl)pyrimidin-4-yl]oxy-1-methylcyclobutan-1-ol?
The InChIKey is NFEUTIAPNMYXBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F2N5O2.C18H21F4N5O.C18H23F2N5O2.C18H21F2N5O2/c1-12-5-8-26(25-12)17-23-15(22-13-3-6-19(20,21)7-4-13)9-16(24-17)28-14-10-18(2,27)11-14;1-11-4-7-27(26-11)16-24-14(23-12-2-5-17(19,20)6-3-12)8-15(25-16)28-13-9-18(21,22)10-13;2*1-11-4-7-25(24-11)17-22-15(21-12-2-5-18(19,20)6-3-12)10-16(23-17)27-14-8-13(26)9-14/h5,8-9,13-14,27H,3-4,6-7,10-11H2,1-2H3,(H,22,23,24);4,7-8,12-13H,2-3,5-6,9-10H2,1H3,(H,23,24,25);4,7,10,12-14,26H,2-3,5-6,8-9H2,1H3,(H,21,22,23);4,7,10,12,14H,2-3,5-6,8-9H2,1H3,(H,21,22,23).
What are the key properties of 6-(3,3-difluorocyclobutyl)oxy-N-(4,4-difluorocyclohexyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine;3-[6-[(4,4-difluorocyclohexyl)amino]-2-(3-methylpyrazol-1-yl)pyrimidin-4-yl]oxycyclobutan-1-ol;3-[6-[(4,4-difluorocyclohexyl)amino]-2-(3-methylpyrazol-1-yl)pyrimidin-4-yl]oxycyclobutan-1-one;3-[6-[(4,4-difluorocyclohexyl)amino]-2-(3-methylpyrazol-1-yl)pyrimidin-4-yl]oxy-1-methylcyclobutan-1-ol?
6-(3,3-difluorocyclobutyl)oxy-N-(4,4-difluorocyclohexyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine;3-[6-[(4,4-difluorocyclohexyl)amino]-2-(3-methylpyrazol-1-yl)pyrimidin-4-yl]oxycyclobutan-1-ol;3-[6-[(4,4-difluorocyclohexyl)amino]-2-(3-methylpyrazol-1-yl)pyrimidin-4-yl]oxycyclobutan-1-one;3-[6-[(4,4-difluorocyclohexyl)amino]-2-(3-methylpyrazol-1-yl)pyrimidin-4-yl]oxy-1-methylcyclobutan-1-ol has a molecular weight of 1549.64 g/mol, XLogP of 13.32, 20 rotatable bonds, 6 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,3-difluorocyclobutyl)oxy-N-(4,4-difluorocyclohexyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine;3-[6-[(4,4-difluorocyclohexyl)amino]-2-(3-methylpyrazol-1-yl)pyrimidin-4-yl]oxycyclobutan-1-ol;3-[6-[(4,4-difluorocyclohexyl)amino]-2-(3-methylpyrazol-1-yl)pyrimidin-4-yl]oxycyclobutan-1-one;3-[6-[(4,4-difluorocyclohexyl)amino]-2-(3-methylpyrazol-1-yl)pyrimidin-4-yl]oxy-1-methylcyclobutan-1-ol is sourced from PubChem (CID 159763477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).