4-(1-benzothiophen-3-yl)-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidin-2-amine;6-(2,6-dichlorophenyl)-2-(4-dimethylphosphorylanilino)-8-methylpyrido[2,3-d]pyrimidin-7-one;2-(4-dimethylphosphorylanilino)-8-methyl-6-(2-methylphenyl)pyrido[2,3-d]pyrimidin-7-one;N-(4-dimethylphosphorylphenyl)-4-(1-methylindol-6-yl)-5-(trifluoromethyl)pyrimidin-2-amine;2-N-(4-dimethylphosphorylphenyl)-4-N-[(3-methylsulfonylphenyl)methyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine

C109H101Cl2F9N19O9P5S2 — CID 162194830

IUPAC4-(1-benzothiophen-3-yl)-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidin-2-amine;6-(2,6-dichlorophenyl)-2-(4-dimethylphosphorylanilino)-8-methylpyrido[2,3-d]pyrimidin-7-one;2-(4-dimethylphosphorylanilino)-8-methyl-6-(2-methylphenyl)pyrido[2,3-d]pyrimidin-7-one;N-(4-dimethylphosphorylphenyl)-4-(1-methylindol-6-yl)-5-(trifluoromethyl)pyrimidin-2-amine;2-N-(4-dimethylphosphorylphenyl)-4-N-[(3-methylsulfonylphenyl)methyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCP(C)(=O)c1ccc(Nc2ncc(C(F)(F)F)c(-c3csc4ccccc34)n2)cc1.CP(C)(=O)c1ccc(Nc2ncc(C(F)(F)F)c(NCc3cccc(S(C)(=O)=O)c3)n2)cc1.Cc1ccccc1-c1cc2cnc(Nc3ccc(P(C)(C)=O)cc3)nc2n(C)c1=O.Cn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(Nc3ccc(P(C)(C)=O)cc3)nc21.Cn1ccc2ccc(-c3nc(Nc4ccc(P(C)(C)=O)cc4)ncc3C(F)(F)F)cc21
InChIInChI=1S/C23H23N4O2P.C22H19Cl2N4O2P.C22H20F3N4OP.C21H22F3N4O3PS.C21H17F3N3OPS/c1-15-7-5-6-8-19(15)20-13-16-14-24-23(26-21(16)27(2)22(20)28)25-17-9-11-18(12-10-17)30(3,4)29;1-28-20-13(11-16(21(28)29)19-17(23)5-4-6-18(19)24)12-25-22(27-20)26-14-7-9-15(10-8-14)31(2,3)30;1-29-11-10-14-4-5-15(12-19(14)29)20-18(22(23,24)25)13-26-21(28-20)27-16-6-8-17(9-7-16)31(2,3)30;1-32(2,29)16-9-7-15(8-10-16)27-20-26-13-18(21(22,23)24)19(28-20)25-12-14-5-4-6-17(11-14)33(3,30)31;1-29(2,28)14-9-7-13(8-10-14)26-20-25-11-17(21(22,23)24)19(27-20)16-12-30-18-6-4-3-5-15(16)18/h5-14H,1-4H3,(H,24,25,26);4-12H,1-3H3,(H,25,26,27);4-13H,1-3H3,(H,26,27,28);4-11,13H,12H2,1-3H3,(H2,25,26,27,28);3-12H,1-2H3,(H,25,26,27)
InChIKeyZQUMVEAWFNPXBS-UHFFFAOYSA-N
MW2282.02 g/mol
LogP26.11
Rot. Bonds23

About 4-(1-benzothiophen-3-yl)-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidin-2-amine;6-(2,6-dichlorophenyl)-2-(4-dimethylphosphorylanilino)-8-methylpyrido[2,3-d]pyrimidin-7-one;2-(4-dimethylphosphorylanilino)-8-methyl-6-(2-methylphenyl)pyrido[2,3-d]pyrimidin-7-one;N-(4-dimethylphosphorylphenyl)-4-(1-methylindol-6-yl)-5-(trifluoromethyl)pyrimidin-2-amine;2-N-(4-dimethylphosphorylphenyl)-4-N-[(3-methylsulfonylphenyl)methyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine

4-(1-benzothiophen-3-yl)-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidin-2-amine;6-(2,6-dichlorophenyl)-2-(4-dimethylphosphorylanilino)-8-methylpyrido[2,3-d]pyrimidin-7-one;2-(4-dimethylphosphorylanilino)-8-methyl-6-(2-methylphenyl)pyrido[2,3-d]pyrimidin-7-one;N-(4-dimethylphosphorylphenyl)-4-(1-methylindol-6-yl)-5-(trifluoromethyl)pyrimidin-2-amine;2-N-(4-dimethylphosphorylphenyl)-4-N-[(3-methylsulfonylphenyl)methyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 162194830) has the molecular formula C109H101Cl2F9N19O9P5S2 and a molecular weight of 2282.02 g/mol. Its IUPAC name is 4-(1-benzothiophen-3-yl)-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidin-2-amine;6-(2,6-dichlorophenyl)-2-(4-dimethylphosphorylanilino)-8-methylpyrido[2,3-d]pyrimidin-7-one;2-(4-dimethylphosphorylanilino)-8-methyl-6-(2-methylphenyl)pyrido[2,3-d]pyrimidin-7-one;N-(4-dimethylphosphorylphenyl)-4-(1-methylindol-6-yl)-5-(trifluoromethyl)pyrimidin-2-amine;2-N-(4-dimethylphosphorylphenyl)-4-N-[(3-methylsulfonylphenyl)methyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-(1-benzothiophen-3-yl)-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidin-2-amine;6-(2,6-dichlorophenyl)-2-(4-dimethylphosphorylanilino)-8-methylpyrido[2,3-d]pyrimidin-7-one;2-(4-dimethylphosphorylanilino)-8-methyl-6-(2-methylphenyl)pyrido[2,3-d]pyrimidin-7-one;N-(4-dimethylphosphorylphenyl)-4-(1-methylindol-6-yl)-5-(trifluoromethyl)pyrimidin-2-amine;2-N-(4-dimethylphosphorylphenyl)-4-N-[(3-methylsulfonylphenyl)methyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID162194830
Molecular FormulaC109H101Cl2F9N19O9P5S2
Molecular Weight2282.02 g/mol
Exact Mass2279.54
IUPAC Name4-(1-benzothiophen-3-yl)-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidin-2-amine;6-(2,6-dichlorophenyl)-2-(4-dimethylphosphorylanilino)-8-methylpyrido[2,3-d]pyrimidin-7-one;2-(4-dimethylphosphorylanilino)-8-methyl-6-(2-methylphenyl)pyrido[2,3-d]pyrimidin-7-one;N-(4-dimethylphosphorylphenyl)-4-(1-methylindol-6-yl)-5-(trifluoromethyl)pyrimidin-2-amine;2-N-(4-dimethylphosphorylphenyl)-4-N-[(3-methylsulfonylphenyl)methyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCP(C)(=O)c1ccc(Nc2ncc(C(F)(F)F)c(-c3csc4ccccc34)n2)cc1.CP(C)(=O)c1ccc(Nc2ncc(C(F)(F)F)c(NCc3cccc(S(C)(=O)=O)c3)n2)cc1.Cc1ccccc1-c1cc2cnc(Nc3ccc(P(C)(C)=O)cc3)nc2n(C)c1=O.Cn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(Nc3ccc(P(C)(C)=O)cc3)nc21.Cn1ccc2ccc(-c3nc(Nc4ccc(P(C)(C)=O)cc4)ncc3C(F)(F)F)cc21
InChIInChI=1S/C23H23N4O2P.C22H19Cl2N4O2P.C22H20F3N4OP.C21H22F3N4O3PS.C21H17F3N3OPS/c1-15-7-5-6-8-19(15)20-13-16-14-24-23(26-21(16)27(2)22(20)28)25-17-9-11-18(12-10-17)30(3,4)29;1-28-20-13(11-16(21(28)29)19-17(23)5-4-6-18(19)24)12-25-22(27-20)26-14-7-9-15(10-8-14)31(2,3)30;1-29-11-10-14-4-5-15(12-19(14)29)20-18(22(23,24)25)13-26-21(28-20)27-16-6-8-17(9-7-16)31(2,3)30;1-32(2,29)16-9-7-15(8-10-16)27-20-26-13-18(21(22,23)24)19(28-20)25-12-14-5-4-6-17(11-14)33(3,30)31;1-29(2,28)14-9-7-13(8-10-14)26-20-25-11-17(21(22,23)24)19(27-20)16-12-30-18-6-4-3-5-15(16)18/h5-14H,1-4H3,(H,24,25,26);4-12H,1-3H3,(H,25,26,27);4-13H,1-3H3,(H,26,27,28);4-11,13H,12H2,1-3H3,(H2,25,26,27,28);3-12H,1-2H3,(H,25,26,27)
InChIKeyZQUMVEAWFNPXBS-UHFFFAOYSA-N
XLogP26.11
TPSA369.50 Ų
H-Bond Donors6
H-Bond Acceptors29
Rotatable Bonds23
Heavy Atoms155
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002282.02
LogP ≤ 526.11
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 4-(1-benzothiophen-3-yl)-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidin-2-amine;6-(2,6-dichlorophenyl)-2-(4-dimethylphosphorylanilino)-8-methylpyrido[2,3-d]pyrimidin-7-one;2-(4-dimethylphosphorylanilino)-8-methyl-6-(2-methylphenyl)pyrido[2,3-d]pyrimidin-7-one;N-(4-dimethylphosphorylphenyl)-4-(1-methylindol-6-yl)-5-(trifluoromethyl)pyrimidin-2-amine;2-N-(4-dimethylphosphorylphenyl)-4-N-[(3-methylsulfonylphenyl)methyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine with MolForge

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Related Compounds

6-(2,6-dichlorophenyl)-2-(4-dimethylphosphorylanilino)-8-methylpyrido[2,3-d]pyrimidin-7-one;2-(4-dimethylphosphorylanilino)-8-methyl-6-(2-methylphenyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one;2-N-(4-dimethylphosphoryl-2-methylphenyl)-4-N-[(3-methylsulfonylphenyl)methyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine;2-(4-dipropylphosphorylanilino)-8-methyl-6-(2-methylphenyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 157644892
N-[4-[(4-chloro-3-pyridinyl)sulfonylmethyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]benzamide;N-[4-[(6-chloro-3-pyridinyl)sulfonylmethyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]benzamide;4-methyl-N-[4-(3-oxo-1,2-benzothiazol-2-yl)-3-(trifluoromethyl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]benzamide;4-methyl-N-[6-(2-oxobut-3-enyl)naphthalen-2-yl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]benzamide
CID 159703850
6-(2,6-dichlorophenyl)-2-(4-dimethylphosphorylanilino)-8-methylpyrido[2,3-d]pyrimidin-7-one;2-(4-dimethylphosphorylanilino)-8-methyl-6-(2-methylphenyl)pyrido[2,3-d]pyrimidin-7-one;2-N-(4-dimethylphosphorylphenyl)-4-N-[(3-methylsulfonylphenyl)methyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine;2-(4-dipropylphosphorylanilino)-8-methyl-6-(2-methylphenyl)pyrido[2,3-d]pyrimidin-7-one
CID 160249544
4-(1-benzothiophen-3-yl)-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidin-2-amine;6-(2,6-dichlorophenyl)-2-(4-dimethylphosphorylanilino)-8-methylpyrido[2,3-d]pyrimidin-7-one;2-(4-dimethylphosphorylanilino)-8-methyl-6-(2-methylphenyl)pyrido[2,3-d]pyrimidin-7-one;2-N-(4-dimethylphosphorylphenyl)-4-N-[(3-methylsulfonylphenyl)methyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine;2-(4-dipropylphosphorylanilino)-8-methyl-6-(2-methylphenyl)pyrido[2,3-d]pyrimidin-7-one
CID 162005606

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzothiophen-3-yl)-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidin-2-amine;6-(2,6-dichlorophenyl)-2-(4-dimethylphosphorylanilino)-8-methylpyrido[2,3-d]pyrimidin-7-one;2-(4-dimethylphosphorylanilino)-8-methyl-6-(2-methylphenyl)pyrido[2,3-d]pyrimidin-7-one;N-(4-dimethylphosphorylphenyl)-4-(1-methylindol-6-yl)-5-(trifluoromethyl)pyrimidin-2-amine;2-N-(4-dimethylphosphorylphenyl)-4-N-[(3-methylsulfonylphenyl)methyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-(1-benzothiophen-3-yl)-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidin-2-amine;6-(2,6-dichlorophenyl)-2-(4-dimethylphosphorylanilino)-8-methylpyrido[2,3-d]pyrimidin-7-one;2-(4-dimethylphosphorylanilino)-8-methyl-6-(2-methylphenyl)pyrido[2,3-d]pyrimidin-7-one;N-(4-dimethylphosphorylphenyl)-4-(1-methylindol-6-yl)-5-(trifluoromethyl)pyrimidin-2-amine;2-N-(4-dimethylphosphorylphenyl)-4-N-[(3-methylsulfonylphenyl)methyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine (CID 162194830) is 4-(1-benzothiophen-3-yl)-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidin-2-amine;6-(2,6-dichlorophenyl)-2-(4-dimethylphosphorylanilino)-8-methylpyrido[2,3-d]pyrimidin-7-one;2-(4-dimethylphosphorylanilino)-8-methyl-6-(2-methylphenyl)pyrido[2,3-d]pyrimidin-7-one;N-(4-dimethylphosphorylphenyl)-4-(1-methylindol-6-yl)-5-(trifluoromethyl)pyrimidin-2-amine;2-N-(4-dimethylphosphorylphenyl)-4-N-[(3-methylsulfonylphenyl)methyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-(1-benzothiophen-3-yl)-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidin-2-amine;6-(2,6-dichlorophenyl)-2-(4-dimethylphosphorylanilino)-8-methylpyrido[2,3-d]pyrimidin-7-one;2-(4-dimethylphosphorylanilino)-8-methyl-6-(2-methylphenyl)pyrido[2,3-d]pyrimidin-7-one;N-(4-dimethylphosphorylphenyl)-4-(1-methylindol-6-yl)-5-(trifluoromethyl)pyrimidin-2-amine;2-N-(4-dimethylphosphorylphenyl)-4-N-[(3-methylsulfonylphenyl)methyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-(1-benzothiophen-3-yl)-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidin-2-amine;6-(2,6-dichlorophenyl)-2-(4-dimethylphosphorylanilino)-8-methylpyrido[2,3-d]pyrimidin-7-one;2-(4-dimethylphosphorylanilino)-8-methyl-6-(2-methylphenyl)pyrido[2,3-d]pyrimidin-7-one;N-(4-dimethylphosphorylphenyl)-4-(1-methylindol-6-yl)-5-(trifluoromethyl)pyrimidin-2-amine;2-N-(4-dimethylphosphorylphenyl)-4-N-[(3-methylsulfonylphenyl)methyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine is CP(C)(=O)c1ccc(Nc2ncc(C(F)(F)F)c(-c3csc4ccccc34)n2)cc1.CP(C)(=O)c1ccc(Nc2ncc(C(F)(F)F)c(NCc3cccc(S(C)(=O)=O)c3)n2)cc1.Cc1ccccc1-c1cc2cnc(Nc3ccc(P(C)(C)=O)cc3)nc2n(C)c1=O.Cn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(Nc3ccc(P(C)(C)=O)cc3)nc21.Cn1ccc2ccc(-c3nc(Nc4ccc(P(C)(C)=O)cc4)ncc3C(F)(F)F)cc21.
What is the InChIKey of 4-(1-benzothiophen-3-yl)-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidin-2-amine;6-(2,6-dichlorophenyl)-2-(4-dimethylphosphorylanilino)-8-methylpyrido[2,3-d]pyrimidin-7-one;2-(4-dimethylphosphorylanilino)-8-methyl-6-(2-methylphenyl)pyrido[2,3-d]pyrimidin-7-one;N-(4-dimethylphosphorylphenyl)-4-(1-methylindol-6-yl)-5-(trifluoromethyl)pyrimidin-2-amine;2-N-(4-dimethylphosphorylphenyl)-4-N-[(3-methylsulfonylphenyl)methyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is ZQUMVEAWFNPXBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N4O2P.C22H19Cl2N4O2P.C22H20F3N4OP.C21H22F3N4O3PS.C21H17F3N3OPS/c1-15-7-5-6-8-19(15)20-13-16-14-24-23(26-21(16)27(2)22(20)28)25-17-9-11-18(12-10-17)30(3,4)29;1-28-20-13(11-16(21(28)29)19-17(23)5-4-6-18(19)24)12-25-22(27-20)26-14-7-9-15(10-8-14)31(2,3)30;1-29-11-10-14-4-5-15(12-19(14)29)20-18(22(23,24)25)13-26-21(28-20)27-16-6-8-17(9-7-16)31(2,3)30;1-32(2,29)16-9-7-15(8-10-16)27-20-26-13-18(21(22,23)24)19(28-20)25-12-14-5-4-6-17(11-14)33(3,30)31;1-29(2,28)14-9-7-13(8-10-14)26-20-25-11-17(21(22,23)24)19(27-20)16-12-30-18-6-4-3-5-15(16)18/h5-14H,1-4H3,(H,24,25,26);4-12H,1-3H3,(H,25,26,27);4-13H,1-3H3,(H,26,27,28);4-11,13H,12H2,1-3H3,(H2,25,26,27,28);3-12H,1-2H3,(H,25,26,27).
What are the key properties of 4-(1-benzothiophen-3-yl)-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidin-2-amine;6-(2,6-dichlorophenyl)-2-(4-dimethylphosphorylanilino)-8-methylpyrido[2,3-d]pyrimidin-7-one;2-(4-dimethylphosphorylanilino)-8-methyl-6-(2-methylphenyl)pyrido[2,3-d]pyrimidin-7-one;N-(4-dimethylphosphorylphenyl)-4-(1-methylindol-6-yl)-5-(trifluoromethyl)pyrimidin-2-amine;2-N-(4-dimethylphosphorylphenyl)-4-N-[(3-methylsulfonylphenyl)methyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine?
4-(1-benzothiophen-3-yl)-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidin-2-amine;6-(2,6-dichlorophenyl)-2-(4-dimethylphosphorylanilino)-8-methylpyrido[2,3-d]pyrimidin-7-one;2-(4-dimethylphosphorylanilino)-8-methyl-6-(2-methylphenyl)pyrido[2,3-d]pyrimidin-7-one;N-(4-dimethylphosphorylphenyl)-4-(1-methylindol-6-yl)-5-(trifluoromethyl)pyrimidin-2-amine;2-N-(4-dimethylphosphorylphenyl)-4-N-[(3-methylsulfonylphenyl)methyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 2282.02 g/mol, XLogP of 26.11, 23 rotatable bonds, 6 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzothiophen-3-yl)-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidin-2-amine;6-(2,6-dichlorophenyl)-2-(4-dimethylphosphorylanilino)-8-methylpyrido[2,3-d]pyrimidin-7-one;2-(4-dimethylphosphorylanilino)-8-methyl-6-(2-methylphenyl)pyrido[2,3-d]pyrimidin-7-one;N-(4-dimethylphosphorylphenyl)-4-(1-methylindol-6-yl)-5-(trifluoromethyl)pyrimidin-2-amine;2-N-(4-dimethylphosphorylphenyl)-4-N-[(3-methylsulfonylphenyl)methyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 162194830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).