1-[4-[6-(2-methylpiperazin-1-yl)pyrimidin-4-yl]oxyphenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]urea;1-[4-[6-[(2R)-2-methylpiperazin-1-yl]pyrimidin-4-yl]oxyphenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]urea;1-[4-[6-[(2S)-2-methylpiperazin-1-yl]pyrimidin-4-yl]oxyphenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]urea;1-[4-[6-[(3R)-3-methylpiperazin-1-yl]pyrimidin-4-yl]oxyphenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]urea;1-[4-methyl-3-(trifluoromethyl)phenyl]-3-[4-[6-(piperidin-4-ylamino)pyrimidin-4-yl]oxyphenyl]urea

C120H125F15N30O10 — CID 157457595

IUPAC1-[4-[6-(2-methylpiperazin-1-yl)pyrimidin-4-yl]oxyphenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]urea;1-[4-[6-[(2R)-2-methylpiperazin-1-yl]pyrimidin-4-yl]oxyphenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]urea;1-[4-[6-[(2S)-2-methylpiperazin-1-yl]pyrimidin-4-yl]oxyphenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]urea;1-[4-[6-[(3R)-3-methylpiperazin-1-yl]pyrimidin-4-yl]oxyphenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]urea;1-[4-methyl-3-(trifluoromethyl)phenyl]-3-[4-[6-(piperidin-4-ylamino)pyrimidin-4-yl]oxyphenyl]urea
SMILESCc1ccc(NC(=O)Nc2ccc(Oc3cc(N4CCNCC4C)ncn3)cc2)cc1C(F)(F)F.Cc1ccc(NC(=O)Nc2ccc(Oc3cc(N4CCNC[C@@H]4C)ncn3)cc2)cc1C(F)(F)F.Cc1ccc(NC(=O)Nc2ccc(Oc3cc(N4CCNC[C@H]4C)ncn3)cc2)cc1C(F)(F)F.Cc1ccc(NC(=O)Nc2ccc(Oc3cc(N4CCN[C@H](C)C4)ncn3)cc2)cc1C(F)(F)F.Cc1ccc(NC(=O)Nc2ccc(Oc3cc(NC4CCNCC4)ncn3)cc2)cc1C(F)(F)F
InChIInChI=1S/5C24H25F3N6O2/c1-15-3-4-18(11-20(15)24(25,26)27)32-23(34)31-17-5-7-19(8-6-17)35-22-12-21(29-14-30-22)33-10-9-28-16(2)13-33;3*1-15-3-4-18(11-20(15)24(25,26)27)32-23(34)31-17-5-7-19(8-6-17)35-22-12-21(29-14-30-22)33-10-9-28-13-16(33)2;1-15-2-3-18(12-20(15)24(25,26)27)33-23(34)32-16-4-6-19(7-5-16)35-22-13-21(29-14-30-22)31-17-8-10-28-11-9-17/h4*3-8,11-12,14,16,28H,9-10,13H2,1-2H3,(H2,31,32,34);2-7,12-14,17,28H,8-11H2,1H3,(H,29,30,31)(H2,32,33,34)/t3*16-;;/m110../s1
InChIKeyBTNVHKSSYAWBNM-CWXKQBQISA-N
MW2432.49 g/mol
LogP25.56
Rot. Bonds26

About 1-[4-[6-(2-methylpiperazin-1-yl)pyrimidin-4-yl]oxyphenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]urea;1-[4-[6-[(2R)-2-methylpiperazin-1-yl]pyrimidin-4-yl]oxyphenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]urea;1-[4-[6-[(2S)-2-methylpiperazin-1-yl]pyrimidin-4-yl]oxyphenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]urea;1-[4-[6-[(3R)-3-methylpiperazin-1-yl]pyrimidin-4-yl]oxyphenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]urea;1-[4-methyl-3-(trifluoromethyl)phenyl]-3-[4-[6-(piperidin-4-ylamino)pyrimidin-4-yl]oxyphenyl]urea

1-[4-[6-(2-methylpiperazin-1-yl)pyrimidin-4-yl]oxyphenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]urea;1-[4-[6-[(2R)-2-methylpiperazin-1-yl]pyrimidin-4-yl]oxyphenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]urea;1-[4-[6-[(2S)-2-methylpiperazin-1-yl]pyrimidin-4-yl]oxyphenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]urea;1-[4-[6-[(3R)-3-methylpiperazin-1-yl]pyrimidin-4-yl]oxyphenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]urea;1-[4-methyl-3-(trifluoromethyl)phenyl]-3-[4-[6-(piperidin-4-ylamino)pyrimidin-4-yl]oxyphenyl]urea (PubChem CID 157457595) has the molecular formula C120H125F15N30O10 and a molecular weight of 2432.49 g/mol. Its IUPAC name is 1-[4-[6-(2-methylpiperazin-1-yl)pyrimidin-4-yl]oxyphenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]urea;1-[4-[6-[(2R)-2-methylpiperazin-1-yl]pyrimidin-4-yl]oxyphenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]urea;1-[4-[6-[(2S)-2-methylpiperazin-1-yl]pyrimidin-4-yl]oxyphenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]urea;1-[4-[6-[(3R)-3-methylpiperazin-1-yl]pyrimidin-4-yl]oxyphenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]urea;1-[4-methyl-3-(trifluoromethyl)phenyl]-3-[4-[6-(piperidin-4-ylamino)pyrimidin-4-yl]oxyphenyl]urea.

Molecular Properties

Compound Name1-[4-[6-(2-methylpiperazin-1-yl)pyrimidin-4-yl]oxyphenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]urea;1-[4-[6-[(2R)-2-methylpiperazin-1-yl]pyrimidin-4-yl]oxyphenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]urea;1-[4-[6-[(2S)-2-methylpiperazin-1-yl]pyrimidin-4-yl]oxyphenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]urea;1-[4-[6-[(3R)-3-methylpiperazin-1-yl]pyrimidin-4-yl]oxyphenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]urea;1-[4-methyl-3-(trifluoromethyl)phenyl]-3-[4-[6-(piperidin-4-ylamino)pyrimidin-4-yl]oxyphenyl]urea
PubChem CID157457595
Molecular FormulaC120H125F15N30O10
Molecular Weight2432.49 g/mol
Exact Mass2431.00
IUPAC Name1-[4-[6-(2-methylpiperazin-1-yl)pyrimidin-4-yl]oxyphenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]urea;1-[4-[6-[(2R)-2-methylpiperazin-1-yl]pyrimidin-4-yl]oxyphenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]urea;1-[4-[6-[(2S)-2-methylpiperazin-1-yl]pyrimidin-4-yl]oxyphenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]urea;1-[4-[6-[(3R)-3-methylpiperazin-1-yl]pyrimidin-4-yl]oxyphenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]urea;1-[4-methyl-3-(trifluoromethyl)phenyl]-3-[4-[6-(piperidin-4-ylamino)pyrimidin-4-yl]oxyphenyl]urea
SMILESCc1ccc(NC(=O)Nc2ccc(Oc3cc(N4CCNCC4C)ncn3)cc2)cc1C(F)(F)F.Cc1ccc(NC(=O)Nc2ccc(Oc3cc(N4CCNC[C@@H]4C)ncn3)cc2)cc1C(F)(F)F.Cc1ccc(NC(=O)Nc2ccc(Oc3cc(N4CCNC[C@H]4C)ncn3)cc2)cc1C(F)(F)F.Cc1ccc(NC(=O)Nc2ccc(Oc3cc(N4CCN[C@H](C)C4)ncn3)cc2)cc1C(F)(F)F.Cc1ccc(NC(=O)Nc2ccc(Oc3cc(NC4CCNCC4)ncn3)cc2)cc1C(F)(F)F
InChIInChI=1S/5C24H25F3N6O2/c1-15-3-4-18(11-20(15)24(25,26)27)32-23(34)31-17-5-7-19(8-6-17)35-22-12-21(29-14-30-22)33-10-9-28-16(2)13-33;3*1-15-3-4-18(11-20(15)24(25,26)27)32-23(34)31-17-5-7-19(8-6-17)35-22-12-21(29-14-30-22)33-10-9-28-13-16(33)2;1-15-2-3-18(12-20(15)24(25,26)27)33-23(34)32-16-4-6-19(7-5-16)35-22-13-21(29-14-30-22)31-17-8-10-28-11-9-17/h4*3-8,11-12,14,16,28H,9-10,13H2,1-2H3,(H2,31,32,34);2-7,12-14,17,28H,8-11H2,1H3,(H,29,30,31)(H2,32,33,34)/t3*16-;;/m110../s1
InChIKeyBTNVHKSSYAWBNM-CWXKQBQISA-N
XLogP25.56
TPSA465.84 Ų
H-Bond Donors16
H-Bond Acceptors30
Rotatable Bonds26
Heavy Atoms175
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002432.49
LogP ≤ 525.56
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1030

Analyze 1-[4-[6-(2-methylpiperazin-1-yl)pyrimidin-4-yl]oxyphenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]urea;1-[4-[6-[(2R)-2-methylpiperazin-1-yl]pyrimidin-4-yl]oxyphenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]urea;1-[4-[6-[(2S)-2-methylpiperazin-1-yl]pyrimidin-4-yl]oxyphenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]urea;1-[4-[6-[(3R)-3-methylpiperazin-1-yl]pyrimidin-4-yl]oxyphenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]urea;1-[4-methyl-3-(trifluoromethyl)phenyl]-3-[4-[6-(piperidin-4-ylamino)pyrimidin-4-yl]oxyphenyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ast-487
CID 11409972
1-[4-(2-Azanylpyrimidin-4-Yl)oxyphenyl]-3-[4-[(4-Methylpiperazin-1-Yl)methyl]-3-(Trifluoromethyl)phenyl]urea
CID 11260561
N-(6-{4-[({4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}carbamoyl)amino]phenoxy}pyrimidin-4-yl)cyclopropanecarboxamide
CID 72551586
N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-[4-[6-(methylamino)pyrimidin-4-yl]oxyphenyl]acetamide
CID 91183030
1-[4-[6-(Propan-2-ylamino)pyrimidin-4-yl]oxyphenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 164620420
1-[4-(6-Aminopyrimidin-4-yl)oxyphenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]urea
CID 58659377
1-[4-[6-(Methylamino)pyrimidin-4-yl]oxyphenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]urea
CID 58659416
1-[4-[6-(2-Aminoethylamino)pyrimidin-4-yl]oxyphenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]urea
CID 141526992
1-[4-[6-[(3R)-3-methylpiperazin-1-yl]pyrimidin-4-yl]oxyphenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]urea
CID 141527009
N-[6-[4-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyrimidin-4-yl]propanamide
CID 141527011
1-[4-[6-[2-(Dimethylamino)ethyl-methylamino]pyrimidin-4-yl]oxyphenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]urea
CID 141527034
1-[4-[6-[(2S)-2-methylpiperazin-1-yl]pyrimidin-4-yl]oxyphenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]urea
CID 141527038

Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-(2-methylpiperazin-1-yl)pyrimidin-4-yl]oxyphenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]urea;1-[4-[6-[(2R)-2-methylpiperazin-1-yl]pyrimidin-4-yl]oxyphenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]urea;1-[4-[6-[(2S)-2-methylpiperazin-1-yl]pyrimidin-4-yl]oxyphenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]urea;1-[4-[6-[(3R)-3-methylpiperazin-1-yl]pyrimidin-4-yl]oxyphenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]urea;1-[4-methyl-3-(trifluoromethyl)phenyl]-3-[4-[6-(piperidin-4-ylamino)pyrimidin-4-yl]oxyphenyl]urea?
The IUPAC name of 1-[4-[6-(2-methylpiperazin-1-yl)pyrimidin-4-yl]oxyphenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]urea;1-[4-[6-[(2R)-2-methylpiperazin-1-yl]pyrimidin-4-yl]oxyphenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]urea;1-[4-[6-[(2S)-2-methylpiperazin-1-yl]pyrimidin-4-yl]oxyphenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]urea;1-[4-[6-[(3R)-3-methylpiperazin-1-yl]pyrimidin-4-yl]oxyphenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]urea;1-[4-methyl-3-(trifluoromethyl)phenyl]-3-[4-[6-(piperidin-4-ylamino)pyrimidin-4-yl]oxyphenyl]urea (CID 157457595) is 1-[4-[6-(2-methylpiperazin-1-yl)pyrimidin-4-yl]oxyphenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]urea;1-[4-[6-[(2R)-2-methylpiperazin-1-yl]pyrimidin-4-yl]oxyphenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]urea;1-[4-[6-[(2S)-2-methylpiperazin-1-yl]pyrimidin-4-yl]oxyphenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]urea;1-[4-[6-[(3R)-3-methylpiperazin-1-yl]pyrimidin-4-yl]oxyphenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]urea;1-[4-methyl-3-(trifluoromethyl)phenyl]-3-[4-[6-(piperidin-4-ylamino)pyrimidin-4-yl]oxyphenyl]urea.
What is the SMILES notation for 1-[4-[6-(2-methylpiperazin-1-yl)pyrimidin-4-yl]oxyphenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]urea;1-[4-[6-[(2R)-2-methylpiperazin-1-yl]pyrimidin-4-yl]oxyphenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]urea;1-[4-[6-[(2S)-2-methylpiperazin-1-yl]pyrimidin-4-yl]oxyphenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]urea;1-[4-[6-[(3R)-3-methylpiperazin-1-yl]pyrimidin-4-yl]oxyphenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]urea;1-[4-methyl-3-(trifluoromethyl)phenyl]-3-[4-[6-(piperidin-4-ylamino)pyrimidin-4-yl]oxyphenyl]urea?
The canonical SMILES for 1-[4-[6-(2-methylpiperazin-1-yl)pyrimidin-4-yl]oxyphenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]urea;1-[4-[6-[(2R)-2-methylpiperazin-1-yl]pyrimidin-4-yl]oxyphenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]urea;1-[4-[6-[(2S)-2-methylpiperazin-1-yl]pyrimidin-4-yl]oxyphenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]urea;1-[4-[6-[(3R)-3-methylpiperazin-1-yl]pyrimidin-4-yl]oxyphenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]urea;1-[4-methyl-3-(trifluoromethyl)phenyl]-3-[4-[6-(piperidin-4-ylamino)pyrimidin-4-yl]oxyphenyl]urea is Cc1ccc(NC(=O)Nc2ccc(Oc3cc(N4CCNCC4C)ncn3)cc2)cc1C(F)(F)F.Cc1ccc(NC(=O)Nc2ccc(Oc3cc(N4CCNC[C@@H]4C)ncn3)cc2)cc1C(F)(F)F.Cc1ccc(NC(=O)Nc2ccc(Oc3cc(N4CCNC[C@H]4C)ncn3)cc2)cc1C(F)(F)F.Cc1ccc(NC(=O)Nc2ccc(Oc3cc(N4CCN[C@H](C)C4)ncn3)cc2)cc1C(F)(F)F.Cc1ccc(NC(=O)Nc2ccc(Oc3cc(NC4CCNCC4)ncn3)cc2)cc1C(F)(F)F.
What is the InChIKey of 1-[4-[6-(2-methylpiperazin-1-yl)pyrimidin-4-yl]oxyphenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]urea;1-[4-[6-[(2R)-2-methylpiperazin-1-yl]pyrimidin-4-yl]oxyphenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]urea;1-[4-[6-[(2S)-2-methylpiperazin-1-yl]pyrimidin-4-yl]oxyphenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]urea;1-[4-[6-[(3R)-3-methylpiperazin-1-yl]pyrimidin-4-yl]oxyphenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]urea;1-[4-methyl-3-(trifluoromethyl)phenyl]-3-[4-[6-(piperidin-4-ylamino)pyrimidin-4-yl]oxyphenyl]urea?
The InChIKey is BTNVHKSSYAWBNM-CWXKQBQISA-N. The full InChI is InChI=1S/5C24H25F3N6O2/c1-15-3-4-18(11-20(15)24(25,26)27)32-23(34)31-17-5-7-19(8-6-17)35-22-12-21(29-14-30-22)33-10-9-28-16(2)13-33;3*1-15-3-4-18(11-20(15)24(25,26)27)32-23(34)31-17-5-7-19(8-6-17)35-22-12-21(29-14-30-22)33-10-9-28-13-16(33)2;1-15-2-3-18(12-20(15)24(25,26)27)33-23(34)32-16-4-6-19(7-5-16)35-22-13-21(29-14-30-22)31-17-8-10-28-11-9-17/h4*3-8,11-12,14,16,28H,9-10,13H2,1-2H3,(H2,31,32,34);2-7,12-14,17,28H,8-11H2,1H3,(H,29,30,31)(H2,32,33,34)/t3*16-;;/m110../s1.
What are the key properties of 1-[4-[6-(2-methylpiperazin-1-yl)pyrimidin-4-yl]oxyphenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]urea;1-[4-[6-[(2R)-2-methylpiperazin-1-yl]pyrimidin-4-yl]oxyphenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]urea;1-[4-[6-[(2S)-2-methylpiperazin-1-yl]pyrimidin-4-yl]oxyphenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]urea;1-[4-[6-[(3R)-3-methylpiperazin-1-yl]pyrimidin-4-yl]oxyphenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]urea;1-[4-methyl-3-(trifluoromethyl)phenyl]-3-[4-[6-(piperidin-4-ylamino)pyrimidin-4-yl]oxyphenyl]urea?
1-[4-[6-(2-methylpiperazin-1-yl)pyrimidin-4-yl]oxyphenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]urea;1-[4-[6-[(2R)-2-methylpiperazin-1-yl]pyrimidin-4-yl]oxyphenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]urea;1-[4-[6-[(2S)-2-methylpiperazin-1-yl]pyrimidin-4-yl]oxyphenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]urea;1-[4-[6-[(3R)-3-methylpiperazin-1-yl]pyrimidin-4-yl]oxyphenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]urea;1-[4-methyl-3-(trifluoromethyl)phenyl]-3-[4-[6-(piperidin-4-ylamino)pyrimidin-4-yl]oxyphenyl]urea has a molecular weight of 2432.49 g/mol, XLogP of 25.56, 26 rotatable bonds, 16 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-(2-methylpiperazin-1-yl)pyrimidin-4-yl]oxyphenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]urea;1-[4-[6-[(2R)-2-methylpiperazin-1-yl]pyrimidin-4-yl]oxyphenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]urea;1-[4-[6-[(2S)-2-methylpiperazin-1-yl]pyrimidin-4-yl]oxyphenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]urea;1-[4-[6-[(3R)-3-methylpiperazin-1-yl]pyrimidin-4-yl]oxyphenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]urea;1-[4-methyl-3-(trifluoromethyl)phenyl]-3-[4-[6-(piperidin-4-ylamino)pyrimidin-4-yl]oxyphenyl]urea is sourced from PubChem (CID 157457595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).