4-[(2,6-difluoro-4-methylphenyl)methyl]-6-(1-methoxybutan-2-yloxy)-2,5-dimethylpyrimidine;4-[[2,6-dimethyl-4-(trifluoromethyl)phenyl]methyl]-6-(1-methoxybutan-2-yloxy)-2,5-dimethylpyrimidine;4-[(2-fluoro-4-methylphenyl)methyl]-6-(1-methoxybutan-2-yloxy)-2,5-dimethylpyrimidine;4-[(4-fluoro-2-methylphenyl)methyl]-6-(1-methoxybutan-2-yloxy)-2,5-dimethylpyrimidine;4-(1-methoxybutan-2-yloxy)-2,5-dimethyl-6-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]pyrimidine;4-(1-methoxybutan-2-yloxy)-2,5-dimethyl-6-(4-propylpiperazin-1-yl)pyrimidine

C116H158F10N14O12 — CID 158754483

IUPAC4-[(2,6-difluoro-4-methylphenyl)methyl]-6-(1-methoxybutan-2-yloxy)-2,5-dimethylpyrimidine;4-[[2,6-dimethyl-4-(trifluoromethyl)phenyl]methyl]-6-(1-methoxybutan-2-yloxy)-2,5-dimethylpyrimidine;4-[(2-fluoro-4-methylphenyl)methyl]-6-(1-methoxybutan-2-yloxy)-2,5-dimethylpyrimidine;4-[(4-fluoro-2-methylphenyl)methyl]-6-(1-methoxybutan-2-yloxy)-2,5-dimethylpyrimidine;4-(1-methoxybutan-2-yloxy)-2,5-dimethyl-6-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]pyrimidine;4-(1-methoxybutan-2-yloxy)-2,5-dimethyl-6-(4-propylpiperazin-1-yl)pyrimidine
SMILESCCC(COC)Oc1nc(C)nc(Cc2c(C)cc(C(F)(F)F)cc2C)c1C.CCC(COC)Oc1nc(C)nc(Cc2c(F)cc(C)cc2F)c1C.CCC(COC)Oc1nc(C)nc(Cc2ccc(C)cc2C(F)(F)F)c1C.CCC(COC)Oc1nc(C)nc(Cc2ccc(C)cc2F)c1C.CCC(COC)Oc1nc(C)nc(Cc2ccc(F)cc2C)c1C.CCCN1CCN(c2nc(C)nc(OC(CC)COC)c2C)CC1
InChIInChI=1S/C21H27F3N2O2.C20H25F3N2O2.C19H24F2N2O2.2C19H25FN2O2.C18H32N4O2/c1-7-17(11-27-6)28-20-14(4)19(25-15(5)26-20)10-18-12(2)8-16(9-13(18)3)21(22,23)24;1-6-16(11-26-5)27-19-13(3)18(24-14(4)25-19)10-15-8-7-12(2)9-17(15)20(21,22)23;1-6-14(10-24-5)25-19-12(3)18(22-13(4)23-19)9-15-16(20)7-11(2)8-17(15)21;1-6-17(11-23-5)24-19-13(3)18(21-14(4)22-19)10-15-7-8-16(20)9-12(15)2;1-6-16(11-23-5)24-19-13(3)18(21-14(4)22-19)10-15-8-7-12(2)9-17(15)20;1-6-8-21-9-11-22(12-10-21)17-14(3)18(20-15(4)19-17)24-16(7-2)13-23-5/h8-9,17H,7,10-11H2,1-6H3;7-9,16H,6,10-11H2,1-5H3;7-8,14H,6,9-10H2,1-5H3;7-9,17H,6,10-11H2,1-5H3;7-9,16H,6,10-11H2,1-5H3;16H,6-13H2,1-5H3
InChIKeyINWUSHIQKVYENX-UHFFFAOYSA-N
MW2130.61 g/mol
LogP24.31
Rot. Bonds43

About 4-[(2,6-difluoro-4-methylphenyl)methyl]-6-(1-methoxybutan-2-yloxy)-2,5-dimethylpyrimidine;4-[[2,6-dimethyl-4-(trifluoromethyl)phenyl]methyl]-6-(1-methoxybutan-2-yloxy)-2,5-dimethylpyrimidine;4-[(2-fluoro-4-methylphenyl)methyl]-6-(1-methoxybutan-2-yloxy)-2,5-dimethylpyrimidine;4-[(4-fluoro-2-methylphenyl)methyl]-6-(1-methoxybutan-2-yloxy)-2,5-dimethylpyrimidine;4-(1-methoxybutan-2-yloxy)-2,5-dimethyl-6-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]pyrimidine;4-(1-methoxybutan-2-yloxy)-2,5-dimethyl-6-(4-propylpiperazin-1-yl)pyrimidine

4-[(2,6-difluoro-4-methylphenyl)methyl]-6-(1-methoxybutan-2-yloxy)-2,5-dimethylpyrimidine;4-[[2,6-dimethyl-4-(trifluoromethyl)phenyl]methyl]-6-(1-methoxybutan-2-yloxy)-2,5-dimethylpyrimidine;4-[(2-fluoro-4-methylphenyl)methyl]-6-(1-methoxybutan-2-yloxy)-2,5-dimethylpyrimidine;4-[(4-fluoro-2-methylphenyl)methyl]-6-(1-methoxybutan-2-yloxy)-2,5-dimethylpyrimidine;4-(1-methoxybutan-2-yloxy)-2,5-dimethyl-6-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]pyrimidine;4-(1-methoxybutan-2-yloxy)-2,5-dimethyl-6-(4-propylpiperazin-1-yl)pyrimidine (PubChem CID 158754483) has the molecular formula C116H158F10N14O12 and a molecular weight of 2130.61 g/mol. Its IUPAC name is 4-[(2,6-difluoro-4-methylphenyl)methyl]-6-(1-methoxybutan-2-yloxy)-2,5-dimethylpyrimidine;4-[[2,6-dimethyl-4-(trifluoromethyl)phenyl]methyl]-6-(1-methoxybutan-2-yloxy)-2,5-dimethylpyrimidine;4-[(2-fluoro-4-methylphenyl)methyl]-6-(1-methoxybutan-2-yloxy)-2,5-dimethylpyrimidine;4-[(4-fluoro-2-methylphenyl)methyl]-6-(1-methoxybutan-2-yloxy)-2,5-dimethylpyrimidine;4-(1-methoxybutan-2-yloxy)-2,5-dimethyl-6-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]pyrimidine;4-(1-methoxybutan-2-yloxy)-2,5-dimethyl-6-(4-propylpiperazin-1-yl)pyrimidine.

Molecular Properties

Compound Name4-[(2,6-difluoro-4-methylphenyl)methyl]-6-(1-methoxybutan-2-yloxy)-2,5-dimethylpyrimidine;4-[[2,6-dimethyl-4-(trifluoromethyl)phenyl]methyl]-6-(1-methoxybutan-2-yloxy)-2,5-dimethylpyrimidine;4-[(2-fluoro-4-methylphenyl)methyl]-6-(1-methoxybutan-2-yloxy)-2,5-dimethylpyrimidine;4-[(4-fluoro-2-methylphenyl)methyl]-6-(1-methoxybutan-2-yloxy)-2,5-dimethylpyrimidine;4-(1-methoxybutan-2-yloxy)-2,5-dimethyl-6-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]pyrimidine;4-(1-methoxybutan-2-yloxy)-2,5-dimethyl-6-(4-propylpiperazin-1-yl)pyrimidine
PubChem CID158754483
Molecular FormulaC116H158F10N14O12
Molecular Weight2130.61 g/mol
Exact Mass2129.20
IUPAC Name4-[(2,6-difluoro-4-methylphenyl)methyl]-6-(1-methoxybutan-2-yloxy)-2,5-dimethylpyrimidine;4-[[2,6-dimethyl-4-(trifluoromethyl)phenyl]methyl]-6-(1-methoxybutan-2-yloxy)-2,5-dimethylpyrimidine;4-[(2-fluoro-4-methylphenyl)methyl]-6-(1-methoxybutan-2-yloxy)-2,5-dimethylpyrimidine;4-[(4-fluoro-2-methylphenyl)methyl]-6-(1-methoxybutan-2-yloxy)-2,5-dimethylpyrimidine;4-(1-methoxybutan-2-yloxy)-2,5-dimethyl-6-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]pyrimidine;4-(1-methoxybutan-2-yloxy)-2,5-dimethyl-6-(4-propylpiperazin-1-yl)pyrimidine
SMILESCCC(COC)Oc1nc(C)nc(Cc2c(C)cc(C(F)(F)F)cc2C)c1C.CCC(COC)Oc1nc(C)nc(Cc2c(F)cc(C)cc2F)c1C.CCC(COC)Oc1nc(C)nc(Cc2ccc(C)cc2C(F)(F)F)c1C.CCC(COC)Oc1nc(C)nc(Cc2ccc(C)cc2F)c1C.CCC(COC)Oc1nc(C)nc(Cc2ccc(F)cc2C)c1C.CCCN1CCN(c2nc(C)nc(OC(CC)COC)c2C)CC1
InChIInChI=1S/C21H27F3N2O2.C20H25F3N2O2.C19H24F2N2O2.2C19H25FN2O2.C18H32N4O2/c1-7-17(11-27-6)28-20-14(4)19(25-15(5)26-20)10-18-12(2)8-16(9-13(18)3)21(22,23)24;1-6-16(11-26-5)27-19-13(3)18(24-14(4)25-19)10-15-8-7-12(2)9-17(15)20(21,22)23;1-6-14(10-24-5)25-19-12(3)18(22-13(4)23-19)9-15-16(20)7-11(2)8-17(15)21;1-6-17(11-23-5)24-19-13(3)18(21-14(4)22-19)10-15-7-8-16(20)9-12(15)2;1-6-16(11-23-5)24-19-13(3)18(21-14(4)22-19)10-15-8-7-12(2)9-17(15)20;1-6-8-21-9-11-22(12-10-21)17-14(3)18(20-15(4)19-17)24-16(7-2)13-23-5/h8-9,17H,7,10-11H2,1-6H3;7-9,16H,6,10-11H2,1-5H3;7-8,14H,6,9-10H2,1-5H3;7-9,17H,6,10-11H2,1-5H3;7-9,16H,6,10-11H2,1-5H3;16H,6-13H2,1-5H3
InChIKeyINWUSHIQKVYENX-UHFFFAOYSA-N
XLogP24.31
TPSA271.92 Ų
H-Bond Donors
H-Bond Acceptors26
Rotatable Bonds43
Heavy Atoms152
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002130.61
LogP ≤ 524.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1026

Analyze 4-[(2,6-difluoro-4-methylphenyl)methyl]-6-(1-methoxybutan-2-yloxy)-2,5-dimethylpyrimidine;4-[[2,6-dimethyl-4-(trifluoromethyl)phenyl]methyl]-6-(1-methoxybutan-2-yloxy)-2,5-dimethylpyrimidine;4-[(2-fluoro-4-methylphenyl)methyl]-6-(1-methoxybutan-2-yloxy)-2,5-dimethylpyrimidine;4-[(4-fluoro-2-methylphenyl)methyl]-6-(1-methoxybutan-2-yloxy)-2,5-dimethylpyrimidine;4-(1-methoxybutan-2-yloxy)-2,5-dimethyl-6-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]pyrimidine;4-(1-methoxybutan-2-yloxy)-2,5-dimethyl-6-(4-propylpiperazin-1-yl)pyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-difluoro-4-methylphenyl)methyl]-6-(1-methoxybutan-2-yloxy)-2,5-dimethylpyrimidine;4-[[2,6-dimethyl-4-(trifluoromethyl)phenyl]methyl]-6-(1-methoxybutan-2-yloxy)-2,5-dimethylpyrimidine;4-[(2-fluoro-4-methylphenyl)methyl]-6-(1-methoxybutan-2-yloxy)-2,5-dimethylpyrimidine;4-[(4-fluoro-2-methylphenyl)methyl]-6-(1-methoxybutan-2-yloxy)-2,5-dimethylpyrimidine;4-(1-methoxybutan-2-yloxy)-2,5-dimethyl-6-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]pyrimidine;4-(1-methoxybutan-2-yloxy)-2,5-dimethyl-6-(4-propylpiperazin-1-yl)pyrimidine?
The IUPAC name of 4-[(2,6-difluoro-4-methylphenyl)methyl]-6-(1-methoxybutan-2-yloxy)-2,5-dimethylpyrimidine;4-[[2,6-dimethyl-4-(trifluoromethyl)phenyl]methyl]-6-(1-methoxybutan-2-yloxy)-2,5-dimethylpyrimidine;4-[(2-fluoro-4-methylphenyl)methyl]-6-(1-methoxybutan-2-yloxy)-2,5-dimethylpyrimidine;4-[(4-fluoro-2-methylphenyl)methyl]-6-(1-methoxybutan-2-yloxy)-2,5-dimethylpyrimidine;4-(1-methoxybutan-2-yloxy)-2,5-dimethyl-6-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]pyrimidine;4-(1-methoxybutan-2-yloxy)-2,5-dimethyl-6-(4-propylpiperazin-1-yl)pyrimidine (CID 158754483) is 4-[(2,6-difluoro-4-methylphenyl)methyl]-6-(1-methoxybutan-2-yloxy)-2,5-dimethylpyrimidine;4-[[2,6-dimethyl-4-(trifluoromethyl)phenyl]methyl]-6-(1-methoxybutan-2-yloxy)-2,5-dimethylpyrimidine;4-[(2-fluoro-4-methylphenyl)methyl]-6-(1-methoxybutan-2-yloxy)-2,5-dimethylpyrimidine;4-[(4-fluoro-2-methylphenyl)methyl]-6-(1-methoxybutan-2-yloxy)-2,5-dimethylpyrimidine;4-(1-methoxybutan-2-yloxy)-2,5-dimethyl-6-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]pyrimidine;4-(1-methoxybutan-2-yloxy)-2,5-dimethyl-6-(4-propylpiperazin-1-yl)pyrimidine.
What is the SMILES notation for 4-[(2,6-difluoro-4-methylphenyl)methyl]-6-(1-methoxybutan-2-yloxy)-2,5-dimethylpyrimidine;4-[[2,6-dimethyl-4-(trifluoromethyl)phenyl]methyl]-6-(1-methoxybutan-2-yloxy)-2,5-dimethylpyrimidine;4-[(2-fluoro-4-methylphenyl)methyl]-6-(1-methoxybutan-2-yloxy)-2,5-dimethylpyrimidine;4-[(4-fluoro-2-methylphenyl)methyl]-6-(1-methoxybutan-2-yloxy)-2,5-dimethylpyrimidine;4-(1-methoxybutan-2-yloxy)-2,5-dimethyl-6-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]pyrimidine;4-(1-methoxybutan-2-yloxy)-2,5-dimethyl-6-(4-propylpiperazin-1-yl)pyrimidine?
The canonical SMILES for 4-[(2,6-difluoro-4-methylphenyl)methyl]-6-(1-methoxybutan-2-yloxy)-2,5-dimethylpyrimidine;4-[[2,6-dimethyl-4-(trifluoromethyl)phenyl]methyl]-6-(1-methoxybutan-2-yloxy)-2,5-dimethylpyrimidine;4-[(2-fluoro-4-methylphenyl)methyl]-6-(1-methoxybutan-2-yloxy)-2,5-dimethylpyrimidine;4-[(4-fluoro-2-methylphenyl)methyl]-6-(1-methoxybutan-2-yloxy)-2,5-dimethylpyrimidine;4-(1-methoxybutan-2-yloxy)-2,5-dimethyl-6-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]pyrimidine;4-(1-methoxybutan-2-yloxy)-2,5-dimethyl-6-(4-propylpiperazin-1-yl)pyrimidine is CCC(COC)Oc1nc(C)nc(Cc2c(C)cc(C(F)(F)F)cc2C)c1C.CCC(COC)Oc1nc(C)nc(Cc2c(F)cc(C)cc2F)c1C.CCC(COC)Oc1nc(C)nc(Cc2ccc(C)cc2C(F)(F)F)c1C.CCC(COC)Oc1nc(C)nc(Cc2ccc(C)cc2F)c1C.CCC(COC)Oc1nc(C)nc(Cc2ccc(F)cc2C)c1C.CCCN1CCN(c2nc(C)nc(OC(CC)COC)c2C)CC1.
What is the InChIKey of 4-[(2,6-difluoro-4-methylphenyl)methyl]-6-(1-methoxybutan-2-yloxy)-2,5-dimethylpyrimidine;4-[[2,6-dimethyl-4-(trifluoromethyl)phenyl]methyl]-6-(1-methoxybutan-2-yloxy)-2,5-dimethylpyrimidine;4-[(2-fluoro-4-methylphenyl)methyl]-6-(1-methoxybutan-2-yloxy)-2,5-dimethylpyrimidine;4-[(4-fluoro-2-methylphenyl)methyl]-6-(1-methoxybutan-2-yloxy)-2,5-dimethylpyrimidine;4-(1-methoxybutan-2-yloxy)-2,5-dimethyl-6-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]pyrimidine;4-(1-methoxybutan-2-yloxy)-2,5-dimethyl-6-(4-propylpiperazin-1-yl)pyrimidine?
The InChIKey is INWUSHIQKVYENX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27F3N2O2.C20H25F3N2O2.C19H24F2N2O2.2C19H25FN2O2.C18H32N4O2/c1-7-17(11-27-6)28-20-14(4)19(25-15(5)26-20)10-18-12(2)8-16(9-13(18)3)21(22,23)24;1-6-16(11-26-5)27-19-13(3)18(24-14(4)25-19)10-15-8-7-12(2)9-17(15)20(21,22)23;1-6-14(10-24-5)25-19-12(3)18(22-13(4)23-19)9-15-16(20)7-11(2)8-17(15)21;1-6-17(11-23-5)24-19-13(3)18(21-14(4)22-19)10-15-7-8-16(20)9-12(15)2;1-6-16(11-23-5)24-19-13(3)18(21-14(4)22-19)10-15-8-7-12(2)9-17(15)20;1-6-8-21-9-11-22(12-10-21)17-14(3)18(20-15(4)19-17)24-16(7-2)13-23-5/h8-9,17H,7,10-11H2,1-6H3;7-9,16H,6,10-11H2,1-5H3;7-8,14H,6,9-10H2,1-5H3;7-9,17H,6,10-11H2,1-5H3;7-9,16H,6,10-11H2,1-5H3;16H,6-13H2,1-5H3.
What are the key properties of 4-[(2,6-difluoro-4-methylphenyl)methyl]-6-(1-methoxybutan-2-yloxy)-2,5-dimethylpyrimidine;4-[[2,6-dimethyl-4-(trifluoromethyl)phenyl]methyl]-6-(1-methoxybutan-2-yloxy)-2,5-dimethylpyrimidine;4-[(2-fluoro-4-methylphenyl)methyl]-6-(1-methoxybutan-2-yloxy)-2,5-dimethylpyrimidine;4-[(4-fluoro-2-methylphenyl)methyl]-6-(1-methoxybutan-2-yloxy)-2,5-dimethylpyrimidine;4-(1-methoxybutan-2-yloxy)-2,5-dimethyl-6-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]pyrimidine;4-(1-methoxybutan-2-yloxy)-2,5-dimethyl-6-(4-propylpiperazin-1-yl)pyrimidine?
4-[(2,6-difluoro-4-methylphenyl)methyl]-6-(1-methoxybutan-2-yloxy)-2,5-dimethylpyrimidine;4-[[2,6-dimethyl-4-(trifluoromethyl)phenyl]methyl]-6-(1-methoxybutan-2-yloxy)-2,5-dimethylpyrimidine;4-[(2-fluoro-4-methylphenyl)methyl]-6-(1-methoxybutan-2-yloxy)-2,5-dimethylpyrimidine;4-[(4-fluoro-2-methylphenyl)methyl]-6-(1-methoxybutan-2-yloxy)-2,5-dimethylpyrimidine;4-(1-methoxybutan-2-yloxy)-2,5-dimethyl-6-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]pyrimidine;4-(1-methoxybutan-2-yloxy)-2,5-dimethyl-6-(4-propylpiperazin-1-yl)pyrimidine has a molecular weight of 2130.61 g/mol, XLogP of 24.31, 43 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-difluoro-4-methylphenyl)methyl]-6-(1-methoxybutan-2-yloxy)-2,5-dimethylpyrimidine;4-[[2,6-dimethyl-4-(trifluoromethyl)phenyl]methyl]-6-(1-methoxybutan-2-yloxy)-2,5-dimethylpyrimidine;4-[(2-fluoro-4-methylphenyl)methyl]-6-(1-methoxybutan-2-yloxy)-2,5-dimethylpyrimidine;4-[(4-fluoro-2-methylphenyl)methyl]-6-(1-methoxybutan-2-yloxy)-2,5-dimethylpyrimidine;4-(1-methoxybutan-2-yloxy)-2,5-dimethyl-6-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]pyrimidine;4-(1-methoxybutan-2-yloxy)-2,5-dimethyl-6-(4-propylpiperazin-1-yl)pyrimidine is sourced from PubChem (CID 158754483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).