2-[2-[6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]-5-methyl-1,3-oxazole;5-fluoro-6-[2-[2-fluoro-4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-N-[(6-methyl-3-pyridinyl)methyl]pyrimidin-4-amine;5-fluoro-6-[4-methoxy-2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-N-[(6-methyl-3-pyridinyl)methyl]pyrimidin-4-amine;5-fluoro-N-[(6-methyl-3-pyridinyl)methyl]-6-[4-methyl-2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-amine

C90H89F16N19O2 — CID 160549016

IUPAC2-[2-[6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]-5-methyl-1,3-oxazole;5-fluoro-6-[2-[2-fluoro-4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-N-[(6-methyl-3-pyridinyl)methyl]pyrimidin-4-amine;5-fluoro-6-[4-methoxy-2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-N-[(6-methyl-3-pyridinyl)methyl]pyrimidin-4-amine;5-fluoro-N-[(6-methyl-3-pyridinyl)methyl]-6-[4-methyl-2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-amine
SMILESCOC1CC(c2ccc(C(F)(F)F)cc2)N(c2ncnc(NCc3ccc(C)nc3)c2F)C1.Cc1ccc(CNc2ncnc(N3CC(C)CC3c3ccc(C(F)(F)F)cc3)c2F)cn1.Cc1ccc(CNc2ncnc(N3CCCC3c3ccc(C(F)(F)F)cc3F)c2F)cn1.Cc1cnc(CCc2ncnc(N3CCCC3c3ccc(C(C)(F)F)cc3)c2F)o1
InChIInChI=1S/C23H23F4N5O.C23H23F4N5.C22H20F5N5.C22H23F3N4O/c1-14-3-4-15(10-28-14)11-29-21-20(24)22(31-13-30-21)32-12-18(33-2)9-19(32)16-5-7-17(8-6-16)23(25,26)27;1-14-9-19(17-5-7-18(8-6-17)23(25,26)27)32(12-14)22-20(24)21(30-13-31-22)29-11-16-4-3-15(2)28-10-16;1-13-4-5-14(10-28-13)11-29-20-19(24)21(31-12-30-20)32-8-2-3-18(32)16-7-6-15(9-17(16)23)22(25,26)27;1-14-12-26-19(30-14)10-9-17-20(23)21(28-13-27-17)29-11-3-4-18(29)15-5-7-16(8-6-15)22(2,24)25/h3-8,10,13,18-19H,9,11-12H2,1-2H3,(H,29,30,31);3-8,10,13-14,19H,9,11-12H2,1-2H3,(H,29,30,31);4-7,9-10,12,18H,2-3,8,11H2,1H3,(H,29,30,31);5-8,12-13,18H,3-4,9-11H2,1-2H3
InChIKeyQXUSQRYZTPGDDA-UHFFFAOYSA-N
MW1772.80 g/mol
LogP21.04
Rot. Bonds22

About 2-[2-[6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]-5-methyl-1,3-oxazole;5-fluoro-6-[2-[2-fluoro-4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-N-[(6-methyl-3-pyridinyl)methyl]pyrimidin-4-amine;5-fluoro-6-[4-methoxy-2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-N-[(6-methyl-3-pyridinyl)methyl]pyrimidin-4-amine;5-fluoro-N-[(6-methyl-3-pyridinyl)methyl]-6-[4-methyl-2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-amine

2-[2-[6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]-5-methyl-1,3-oxazole;5-fluoro-6-[2-[2-fluoro-4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-N-[(6-methyl-3-pyridinyl)methyl]pyrimidin-4-amine;5-fluoro-6-[4-methoxy-2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-N-[(6-methyl-3-pyridinyl)methyl]pyrimidin-4-amine;5-fluoro-N-[(6-methyl-3-pyridinyl)methyl]-6-[4-methyl-2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-amine (PubChem CID 160549016) has the molecular formula C90H89F16N19O2 and a molecular weight of 1772.80 g/mol. Its IUPAC name is 2-[2-[6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]-5-methyl-1,3-oxazole;5-fluoro-6-[2-[2-fluoro-4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-N-[(6-methyl-3-pyridinyl)methyl]pyrimidin-4-amine;5-fluoro-6-[4-methoxy-2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-N-[(6-methyl-3-pyridinyl)methyl]pyrimidin-4-amine;5-fluoro-N-[(6-methyl-3-pyridinyl)methyl]-6-[4-methyl-2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[2-[6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]-5-methyl-1,3-oxazole;5-fluoro-6-[2-[2-fluoro-4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-N-[(6-methyl-3-pyridinyl)methyl]pyrimidin-4-amine;5-fluoro-6-[4-methoxy-2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-N-[(6-methyl-3-pyridinyl)methyl]pyrimidin-4-amine;5-fluoro-N-[(6-methyl-3-pyridinyl)methyl]-6-[4-methyl-2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-amine
PubChem CID160549016
Molecular FormulaC90H89F16N19O2
Molecular Weight1772.80 g/mol
Exact Mass1771.72
IUPAC Name2-[2-[6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]-5-methyl-1,3-oxazole;5-fluoro-6-[2-[2-fluoro-4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-N-[(6-methyl-3-pyridinyl)methyl]pyrimidin-4-amine;5-fluoro-6-[4-methoxy-2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-N-[(6-methyl-3-pyridinyl)methyl]pyrimidin-4-amine;5-fluoro-N-[(6-methyl-3-pyridinyl)methyl]-6-[4-methyl-2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-amine
SMILESCOC1CC(c2ccc(C(F)(F)F)cc2)N(c2ncnc(NCc3ccc(C)nc3)c2F)C1.Cc1ccc(CNc2ncnc(N3CC(C)CC3c3ccc(C(F)(F)F)cc3)c2F)cn1.Cc1ccc(CNc2ncnc(N3CCCC3c3ccc(C(F)(F)F)cc3F)c2F)cn1.Cc1cnc(CCc2ncnc(N3CCCC3c3ccc(C(C)(F)F)cc3)c2F)o1
InChIInChI=1S/C23H23F4N5O.C23H23F4N5.C22H20F5N5.C22H23F3N4O/c1-14-3-4-15(10-28-14)11-29-21-20(24)22(31-13-30-21)32-12-18(33-2)9-19(32)16-5-7-17(8-6-16)23(25,26)27;1-14-9-19(17-5-7-18(8-6-17)23(25,26)27)32(12-14)22-20(24)21(30-13-31-22)29-11-16-4-3-15(2)28-10-16;1-13-4-5-14(10-28-13)11-29-20-19(24)21(31-12-30-20)32-8-2-3-18(32)16-7-6-15(9-17(16)23)22(25,26)27;1-14-12-26-19(30-14)10-9-17-20(23)21(28-13-27-17)29-11-3-4-18(29)15-5-7-16(8-6-15)22(2,24)25/h3-8,10,13,18-19H,9,11-12H2,1-2H3,(H,29,30,31);3-8,10,13-14,19H,9,11-12H2,1-2H3,(H,29,30,31);4-7,9-10,12,18H,2-3,8,11H2,1H3,(H,29,30,31);5-8,12-13,18H,3-4,9-11H2,1-2H3
InChIKeyQXUSQRYZTPGDDA-UHFFFAOYSA-N
XLogP21.04
TPSA226.10 Ų
H-Bond Donors3
H-Bond Acceptors21
Rotatable Bonds22
Heavy Atoms127
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001772.80
LogP ≤ 521.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1021

Analyze 2-[2-[6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]-5-methyl-1,3-oxazole;5-fluoro-6-[2-[2-fluoro-4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-N-[(6-methyl-3-pyridinyl)methyl]pyrimidin-4-amine;5-fluoro-6-[4-methoxy-2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-N-[(6-methyl-3-pyridinyl)methyl]pyrimidin-4-amine;5-fluoro-N-[(6-methyl-3-pyridinyl)methyl]-6-[4-methyl-2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-amine with MolForge

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Related Compounds

bis(1-(2-fluorophenyl)-N-methylmethanamine);1-(4-fluorophenyl)-N-methylmethanamine;2-methyl-5-propyl-1,3-oxazole;4-methyl-2-propyl-1,3-oxazole;5-methyl-2-propyl-1,3-oxazole;1-methyl-2-propylpyrrole;N-methyl-1-pyrazin-2-ylmethanamine;N-methyl-1-pyrimidin-2-ylmethanamine;N-methyl-1-pyrimidin-4-ylmethanamine;2-propyl-1,3-oxazole;5-propyl-1,3-oxazole
CID 157238579

Frequently Asked Questions

What is the IUPAC name of 2-[2-[6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]-5-methyl-1,3-oxazole;5-fluoro-6-[2-[2-fluoro-4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-N-[(6-methyl-3-pyridinyl)methyl]pyrimidin-4-amine;5-fluoro-6-[4-methoxy-2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-N-[(6-methyl-3-pyridinyl)methyl]pyrimidin-4-amine;5-fluoro-N-[(6-methyl-3-pyridinyl)methyl]-6-[4-methyl-2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-amine?
The IUPAC name of 2-[2-[6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]-5-methyl-1,3-oxazole;5-fluoro-6-[2-[2-fluoro-4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-N-[(6-methyl-3-pyridinyl)methyl]pyrimidin-4-amine;5-fluoro-6-[4-methoxy-2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-N-[(6-methyl-3-pyridinyl)methyl]pyrimidin-4-amine;5-fluoro-N-[(6-methyl-3-pyridinyl)methyl]-6-[4-methyl-2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-amine (CID 160549016) is 2-[2-[6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]-5-methyl-1,3-oxazole;5-fluoro-6-[2-[2-fluoro-4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-N-[(6-methyl-3-pyridinyl)methyl]pyrimidin-4-amine;5-fluoro-6-[4-methoxy-2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-N-[(6-methyl-3-pyridinyl)methyl]pyrimidin-4-amine;5-fluoro-N-[(6-methyl-3-pyridinyl)methyl]-6-[4-methyl-2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for 2-[2-[6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]-5-methyl-1,3-oxazole;5-fluoro-6-[2-[2-fluoro-4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-N-[(6-methyl-3-pyridinyl)methyl]pyrimidin-4-amine;5-fluoro-6-[4-methoxy-2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-N-[(6-methyl-3-pyridinyl)methyl]pyrimidin-4-amine;5-fluoro-N-[(6-methyl-3-pyridinyl)methyl]-6-[4-methyl-2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-amine?
The canonical SMILES for 2-[2-[6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]-5-methyl-1,3-oxazole;5-fluoro-6-[2-[2-fluoro-4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-N-[(6-methyl-3-pyridinyl)methyl]pyrimidin-4-amine;5-fluoro-6-[4-methoxy-2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-N-[(6-methyl-3-pyridinyl)methyl]pyrimidin-4-amine;5-fluoro-N-[(6-methyl-3-pyridinyl)methyl]-6-[4-methyl-2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-amine is COC1CC(c2ccc(C(F)(F)F)cc2)N(c2ncnc(NCc3ccc(C)nc3)c2F)C1.Cc1ccc(CNc2ncnc(N3CC(C)CC3c3ccc(C(F)(F)F)cc3)c2F)cn1.Cc1ccc(CNc2ncnc(N3CCCC3c3ccc(C(F)(F)F)cc3F)c2F)cn1.Cc1cnc(CCc2ncnc(N3CCCC3c3ccc(C(C)(F)F)cc3)c2F)o1.
What is the InChIKey of 2-[2-[6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]-5-methyl-1,3-oxazole;5-fluoro-6-[2-[2-fluoro-4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-N-[(6-methyl-3-pyridinyl)methyl]pyrimidin-4-amine;5-fluoro-6-[4-methoxy-2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-N-[(6-methyl-3-pyridinyl)methyl]pyrimidin-4-amine;5-fluoro-N-[(6-methyl-3-pyridinyl)methyl]-6-[4-methyl-2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-amine?
The InChIKey is QXUSQRYZTPGDDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F4N5O.C23H23F4N5.C22H20F5N5.C22H23F3N4O/c1-14-3-4-15(10-28-14)11-29-21-20(24)22(31-13-30-21)32-12-18(33-2)9-19(32)16-5-7-17(8-6-16)23(25,26)27;1-14-9-19(17-5-7-18(8-6-17)23(25,26)27)32(12-14)22-20(24)21(30-13-31-22)29-11-16-4-3-15(2)28-10-16;1-13-4-5-14(10-28-13)11-29-20-19(24)21(31-12-30-20)32-8-2-3-18(32)16-7-6-15(9-17(16)23)22(25,26)27;1-14-12-26-19(30-14)10-9-17-20(23)21(28-13-27-17)29-11-3-4-18(29)15-5-7-16(8-6-15)22(2,24)25/h3-8,10,13,18-19H,9,11-12H2,1-2H3,(H,29,30,31);3-8,10,13-14,19H,9,11-12H2,1-2H3,(H,29,30,31);4-7,9-10,12,18H,2-3,8,11H2,1H3,(H,29,30,31);5-8,12-13,18H,3-4,9-11H2,1-2H3.
What are the key properties of 2-[2-[6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]-5-methyl-1,3-oxazole;5-fluoro-6-[2-[2-fluoro-4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-N-[(6-methyl-3-pyridinyl)methyl]pyrimidin-4-amine;5-fluoro-6-[4-methoxy-2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-N-[(6-methyl-3-pyridinyl)methyl]pyrimidin-4-amine;5-fluoro-N-[(6-methyl-3-pyridinyl)methyl]-6-[4-methyl-2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-amine?
2-[2-[6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]-5-methyl-1,3-oxazole;5-fluoro-6-[2-[2-fluoro-4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-N-[(6-methyl-3-pyridinyl)methyl]pyrimidin-4-amine;5-fluoro-6-[4-methoxy-2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-N-[(6-methyl-3-pyridinyl)methyl]pyrimidin-4-amine;5-fluoro-N-[(6-methyl-3-pyridinyl)methyl]-6-[4-methyl-2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-amine has a molecular weight of 1772.80 g/mol, XLogP of 21.04, 22 rotatable bonds, 3 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]-5-methyl-1,3-oxazole;5-fluoro-6-[2-[2-fluoro-4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-N-[(6-methyl-3-pyridinyl)methyl]pyrimidin-4-amine;5-fluoro-6-[4-methoxy-2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-N-[(6-methyl-3-pyridinyl)methyl]pyrimidin-4-amine;5-fluoro-N-[(6-methyl-3-pyridinyl)methyl]-6-[4-methyl-2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 160549016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).