1-[4-[6-[(4-methoxyphenyl)methylamino]pyrimidin-4-yl]oxyphenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]urea;N-[6-[4-[[2-[2-(trifluoromethyl)phenyl]acetyl]amino]phenoxy]pyrimidin-4-yl]pentanamide;N-[6-[4-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]phenoxy]pyrimidin-4-yl]pentanamide;N-[6-[4-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]phenoxy]pyrimidin-4-yl]propanamide

C97H89F12N17O12 — CID 157050583

IUPAC1-[4-[6-[(4-methoxyphenyl)methylamino]pyrimidin-4-yl]oxyphenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]urea;N-[6-[4-[[2-[2-(trifluoromethyl)phenyl]acetyl]amino]phenoxy]pyrimidin-4-yl]pentanamide;N-[6-[4-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]phenoxy]pyrimidin-4-yl]pentanamide;N-[6-[4-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]phenoxy]pyrimidin-4-yl]propanamide
SMILESCCC(=O)Nc1cc(Oc2ccc(NC(=O)Cc3cccc(C(F)(F)F)c3)cc2)ncn1.CCCCC(=O)Nc1cc(Oc2ccc(NC(=O)Cc3ccc(C(F)(F)F)cc3)cc2)ncn1.CCCCC(=O)Nc1cc(Oc2ccc(NC(=O)Cc3ccccc3C(F)(F)F)cc2)ncn1.COc1ccc(CNc2cc(Oc3ccc(NC(=O)Nc4ccc(C)c(C(F)(F)F)c4)cc3)ncn2)cc1
InChIInChI=1S/C27H24F3N5O3.2C24H23F3N4O3.C22H19F3N4O3/c1-17-3-6-20(13-23(17)27(28,29)30)35-26(36)34-19-7-11-22(12-8-19)38-25-14-24(32-16-33-25)31-15-18-4-9-21(37-2)10-5-18;1-2-3-8-21(32)31-20-14-23(29-15-28-20)34-18-11-9-17(10-12-18)30-22(33)13-16-6-4-5-7-19(16)24(25,26)27;1-2-3-4-21(32)31-20-14-23(29-15-28-20)34-19-11-9-18(10-12-19)30-22(33)13-16-5-7-17(8-6-16)24(25,26)27;1-2-19(30)29-18-12-21(27-13-26-18)32-17-8-6-16(7-9-17)28-20(31)11-14-4-3-5-15(10-14)22(23,24)25/h3-14,16H,15H2,1-2H3,(H,31,32,33)(H2,34,35,36);4-7,9-12,14-15H,2-3,8,13H2,1H3,(H,30,33)(H,28,29,31,32);5-12,14-15H,2-4,13H2,1H3,(H,30,33)(H,28,29,31,32);3-10,12-13H,2,11H2,1H3,(H,28,31)(H,26,27,29,30)
InChIKeyAADRGCILTQJJIP-UHFFFAOYSA-N
MW1912.86 g/mol
LogP22.87
Rot. Bonds33

About 1-[4-[6-[(4-methoxyphenyl)methylamino]pyrimidin-4-yl]oxyphenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]urea;N-[6-[4-[[2-[2-(trifluoromethyl)phenyl]acetyl]amino]phenoxy]pyrimidin-4-yl]pentanamide;N-[6-[4-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]phenoxy]pyrimidin-4-yl]pentanamide;N-[6-[4-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]phenoxy]pyrimidin-4-yl]propanamide

1-[4-[6-[(4-methoxyphenyl)methylamino]pyrimidin-4-yl]oxyphenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]urea;N-[6-[4-[[2-[2-(trifluoromethyl)phenyl]acetyl]amino]phenoxy]pyrimidin-4-yl]pentanamide;N-[6-[4-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]phenoxy]pyrimidin-4-yl]pentanamide;N-[6-[4-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]phenoxy]pyrimidin-4-yl]propanamide (PubChem CID 157050583) has the molecular formula C97H89F12N17O12 and a molecular weight of 1912.86 g/mol. Its IUPAC name is 1-[4-[6-[(4-methoxyphenyl)methylamino]pyrimidin-4-yl]oxyphenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]urea;N-[6-[4-[[2-[2-(trifluoromethyl)phenyl]acetyl]amino]phenoxy]pyrimidin-4-yl]pentanamide;N-[6-[4-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]phenoxy]pyrimidin-4-yl]pentanamide;N-[6-[4-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]phenoxy]pyrimidin-4-yl]propanamide.

Molecular Properties

Compound Name1-[4-[6-[(4-methoxyphenyl)methylamino]pyrimidin-4-yl]oxyphenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]urea;N-[6-[4-[[2-[2-(trifluoromethyl)phenyl]acetyl]amino]phenoxy]pyrimidin-4-yl]pentanamide;N-[6-[4-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]phenoxy]pyrimidin-4-yl]pentanamide;N-[6-[4-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]phenoxy]pyrimidin-4-yl]propanamide
PubChem CID157050583
Molecular FormulaC97H89F12N17O12
Molecular Weight1912.86 g/mol
Exact Mass1911.67
IUPAC Name1-[4-[6-[(4-methoxyphenyl)methylamino]pyrimidin-4-yl]oxyphenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]urea;N-[6-[4-[[2-[2-(trifluoromethyl)phenyl]acetyl]amino]phenoxy]pyrimidin-4-yl]pentanamide;N-[6-[4-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]phenoxy]pyrimidin-4-yl]pentanamide;N-[6-[4-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]phenoxy]pyrimidin-4-yl]propanamide
SMILESCCC(=O)Nc1cc(Oc2ccc(NC(=O)Cc3cccc(C(F)(F)F)c3)cc2)ncn1.CCCCC(=O)Nc1cc(Oc2ccc(NC(=O)Cc3ccc(C(F)(F)F)cc3)cc2)ncn1.CCCCC(=O)Nc1cc(Oc2ccc(NC(=O)Cc3ccccc3C(F)(F)F)cc2)ncn1.COc1ccc(CNc2cc(Oc3ccc(NC(=O)Nc4ccc(C)c(C(F)(F)F)c4)cc3)ncn2)cc1
InChIInChI=1S/C27H24F3N5O3.2C24H23F3N4O3.C22H19F3N4O3/c1-17-3-6-20(13-23(17)27(28,29)30)35-26(36)34-19-7-11-22(12-8-19)38-25-14-24(32-16-33-25)31-15-18-4-9-21(37-2)10-5-18;1-2-3-8-21(32)31-20-14-23(29-15-28-20)34-18-11-9-17(10-12-18)30-22(33)13-16-6-4-5-7-19(16)24(25,26)27;1-2-3-4-21(32)31-20-14-23(29-15-28-20)34-19-11-9-18(10-12-19)30-22(33)13-16-5-7-17(8-6-16)24(25,26)27;1-2-19(30)29-18-12-21(27-13-26-18)32-17-8-6-16(7-9-17)28-20(31)11-14-4-3-5-15(10-14)22(23,24)25/h3-14,16H,15H2,1-2H3,(H,31,32,33)(H2,34,35,36);4-7,9-12,14-15H,2-3,8,13H2,1H3,(H,30,33)(H,28,29,31,32);5-12,14-15H,2-4,13H2,1H3,(H,30,33)(H,28,29,31,32);3-10,12-13H,2,11H2,1H3,(H,28,31)(H,26,27,29,30)
InChIKeyAADRGCILTQJJIP-UHFFFAOYSA-N
XLogP22.87
TPSA377.03 Ų
H-Bond Donors9
H-Bond Acceptors21
Rotatable Bonds33
Heavy Atoms138
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001912.86
LogP ≤ 522.87
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1021

Analyze 1-[4-[6-[(4-methoxyphenyl)methylamino]pyrimidin-4-yl]oxyphenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]urea;N-[6-[4-[[2-[2-(trifluoromethyl)phenyl]acetyl]amino]phenoxy]pyrimidin-4-yl]pentanamide;N-[6-[4-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]phenoxy]pyrimidin-4-yl]pentanamide;N-[6-[4-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]phenoxy]pyrimidin-4-yl]propanamide with MolForge

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Related Compounds

N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-[4-[6-(methylamino)pyrimidin-4-yl]oxyphenyl]acetamide
CID 91183030
2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-N-[4-[6-(methylamino)pyrimidin-4-yl]oxyphenyl]acetamide
CID 127049857
N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-[2,4-bis(trifluoromethyl)phenyl]acetamide
CID 141527057
2-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide
CID 141527094
1-[4-[6-[(4-Methoxyphenyl)methylamino]pyrimidin-4-yl]oxyphenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]urea
CID 141527096
1-(4-(6-(4-Methoxybenzylamino)pyrimidin-4-yloxy)-3-fluorophenyl)-3-(2-(4-fluorophenyl)acetyl)urea
CID 11569893
6-(6-acetamidopyrimidin-4-yl)oxy-N-[4-[(1-ethylpiperidin-4-ylidene)methyl]-3-(trifluoromethyl)phenyl]naphthalene-1-carboxamide
CID 91168565
N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-[4-methyl-3-(trifluoromethyl)phenyl]acetamide
CID 141527087
1-[4-[6-[(4-Methoxyphenyl)methylamino]pyrimidin-4-yl]oxyphenyl]-3-[4-(piperazin-1-ylmethyl)-3-(trifluoromethyl)phenyl]urea
CID 141527124
N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-7-[6-(methylamino)pyrimidin-4-yl]oxy-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 146174172
6-(4-aminophenoxy)-N-[(4-methoxyphenyl)methyl]pyrimidin-4-amine;1-[4-[6-[(4-methoxyphenyl)methylamino]pyrimidin-4-yl]oxyphenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]urea
CID 155191237
Bis(1-[4-[6-(2-hydroxyethylamino)pyrimidin-4-yl]oxycyclohexyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]urea);bis(1-[4-[6-(2-methoxyethylamino)pyrimidin-4-yl]oxycyclohexyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]urea)
CID 157177085

Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-[(4-methoxyphenyl)methylamino]pyrimidin-4-yl]oxyphenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]urea;N-[6-[4-[[2-[2-(trifluoromethyl)phenyl]acetyl]amino]phenoxy]pyrimidin-4-yl]pentanamide;N-[6-[4-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]phenoxy]pyrimidin-4-yl]pentanamide;N-[6-[4-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]phenoxy]pyrimidin-4-yl]propanamide?
The IUPAC name of 1-[4-[6-[(4-methoxyphenyl)methylamino]pyrimidin-4-yl]oxyphenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]urea;N-[6-[4-[[2-[2-(trifluoromethyl)phenyl]acetyl]amino]phenoxy]pyrimidin-4-yl]pentanamide;N-[6-[4-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]phenoxy]pyrimidin-4-yl]pentanamide;N-[6-[4-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]phenoxy]pyrimidin-4-yl]propanamide (CID 157050583) is 1-[4-[6-[(4-methoxyphenyl)methylamino]pyrimidin-4-yl]oxyphenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]urea;N-[6-[4-[[2-[2-(trifluoromethyl)phenyl]acetyl]amino]phenoxy]pyrimidin-4-yl]pentanamide;N-[6-[4-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]phenoxy]pyrimidin-4-yl]pentanamide;N-[6-[4-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]phenoxy]pyrimidin-4-yl]propanamide.
What is the SMILES notation for 1-[4-[6-[(4-methoxyphenyl)methylamino]pyrimidin-4-yl]oxyphenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]urea;N-[6-[4-[[2-[2-(trifluoromethyl)phenyl]acetyl]amino]phenoxy]pyrimidin-4-yl]pentanamide;N-[6-[4-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]phenoxy]pyrimidin-4-yl]pentanamide;N-[6-[4-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]phenoxy]pyrimidin-4-yl]propanamide?
The canonical SMILES for 1-[4-[6-[(4-methoxyphenyl)methylamino]pyrimidin-4-yl]oxyphenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]urea;N-[6-[4-[[2-[2-(trifluoromethyl)phenyl]acetyl]amino]phenoxy]pyrimidin-4-yl]pentanamide;N-[6-[4-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]phenoxy]pyrimidin-4-yl]pentanamide;N-[6-[4-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]phenoxy]pyrimidin-4-yl]propanamide is CCC(=O)Nc1cc(Oc2ccc(NC(=O)Cc3cccc(C(F)(F)F)c3)cc2)ncn1.CCCCC(=O)Nc1cc(Oc2ccc(NC(=O)Cc3ccc(C(F)(F)F)cc3)cc2)ncn1.CCCCC(=O)Nc1cc(Oc2ccc(NC(=O)Cc3ccccc3C(F)(F)F)cc2)ncn1.COc1ccc(CNc2cc(Oc3ccc(NC(=O)Nc4ccc(C)c(C(F)(F)F)c4)cc3)ncn2)cc1.
What is the InChIKey of 1-[4-[6-[(4-methoxyphenyl)methylamino]pyrimidin-4-yl]oxyphenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]urea;N-[6-[4-[[2-[2-(trifluoromethyl)phenyl]acetyl]amino]phenoxy]pyrimidin-4-yl]pentanamide;N-[6-[4-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]phenoxy]pyrimidin-4-yl]pentanamide;N-[6-[4-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]phenoxy]pyrimidin-4-yl]propanamide?
The InChIKey is AADRGCILTQJJIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24F3N5O3.2C24H23F3N4O3.C22H19F3N4O3/c1-17-3-6-20(13-23(17)27(28,29)30)35-26(36)34-19-7-11-22(12-8-19)38-25-14-24(32-16-33-25)31-15-18-4-9-21(37-2)10-5-18;1-2-3-8-21(32)31-20-14-23(29-15-28-20)34-18-11-9-17(10-12-18)30-22(33)13-16-6-4-5-7-19(16)24(25,26)27;1-2-3-4-21(32)31-20-14-23(29-15-28-20)34-19-11-9-18(10-12-19)30-22(33)13-16-5-7-17(8-6-16)24(25,26)27;1-2-19(30)29-18-12-21(27-13-26-18)32-17-8-6-16(7-9-17)28-20(31)11-14-4-3-5-15(10-14)22(23,24)25/h3-14,16H,15H2,1-2H3,(H,31,32,33)(H2,34,35,36);4-7,9-12,14-15H,2-3,8,13H2,1H3,(H,30,33)(H,28,29,31,32);5-12,14-15H,2-4,13H2,1H3,(H,30,33)(H,28,29,31,32);3-10,12-13H,2,11H2,1H3,(H,28,31)(H,26,27,29,30).
What are the key properties of 1-[4-[6-[(4-methoxyphenyl)methylamino]pyrimidin-4-yl]oxyphenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]urea;N-[6-[4-[[2-[2-(trifluoromethyl)phenyl]acetyl]amino]phenoxy]pyrimidin-4-yl]pentanamide;N-[6-[4-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]phenoxy]pyrimidin-4-yl]pentanamide;N-[6-[4-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]phenoxy]pyrimidin-4-yl]propanamide?
1-[4-[6-[(4-methoxyphenyl)methylamino]pyrimidin-4-yl]oxyphenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]urea;N-[6-[4-[[2-[2-(trifluoromethyl)phenyl]acetyl]amino]phenoxy]pyrimidin-4-yl]pentanamide;N-[6-[4-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]phenoxy]pyrimidin-4-yl]pentanamide;N-[6-[4-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]phenoxy]pyrimidin-4-yl]propanamide has a molecular weight of 1912.86 g/mol, XLogP of 22.87, 33 rotatable bonds, 9 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-[(4-methoxyphenyl)methylamino]pyrimidin-4-yl]oxyphenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]urea;N-[6-[4-[[2-[2-(trifluoromethyl)phenyl]acetyl]amino]phenoxy]pyrimidin-4-yl]pentanamide;N-[6-[4-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]phenoxy]pyrimidin-4-yl]pentanamide;N-[6-[4-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]phenoxy]pyrimidin-4-yl]propanamide is sourced from PubChem (CID 157050583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).