4-(1-benzothiophen-3-yl)-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidin-2-amine;4-chloro-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidin-2-amine;4-N-[(3,4-dimethoxyphenyl)methyl]-2-N-(4-dimethylphosphorylphenyl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine;N-(4-dimethylphosphorylphenyl)-4-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-5-(trifluoromethyl)pyrimidin-2-amine;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

C123H121ClF18N22O11P6S2 — CID 157357422

IUPAC4-(1-benzothiophen-3-yl)-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidin-2-amine;4-chloro-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidin-2-amine;4-N-[(3,4-dimethoxyphenyl)methyl]-2-N-(4-dimethylphosphorylphenyl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine;N-(4-dimethylphosphorylphenyl)-4-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-5-(trifluoromethyl)pyrimidin-2-amine;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
SMILESCOc1ccc(CN(C)c2nc(Nc3ccc(P(C)(C)=O)cc3)ncc2C(F)(F)F)cc1OC.COc1ccc2c(c1)CN(c1nc(Nc3ccc(P(C)(C)=O)cc3)ncc1C(F)(F)F)CC2.CP(C)(=O)c1ccc(Nc2ncc(C(F)(F)F)c(-c3csc4ccccc34)n2)cc1.CP(C)(=O)c1ccc(Nc2ncc(C(F)(F)F)c(Cl)n2)cc1.CP(C)(=O)c1ccc(Nc2ncc(C(F)(F)F)c(NCc3cccc(S(C)(=O)=O)c3)n2)cc1.Cn1ccc2ccc(-c3nc(Nc4ccc(P(C)(C)=O)cc4)ncc3C(F)(F)F)cc21
InChIInChI=1S/C23H26F3N4O3P.C23H24F3N4O2P.C22H20F3N4OP.C21H22F3N4O3PS.C21H17F3N3OPS.C13H12ClF3N3OP/c1-30(14-15-6-11-19(32-2)20(12-15)33-3)21-18(23(24,25)26)13-27-22(29-21)28-16-7-9-17(10-8-16)34(4,5)31;1-32-18-7-4-15-10-11-30(14-16(15)12-18)21-20(23(24,25)26)13-27-22(29-21)28-17-5-8-19(9-6-17)33(2,3)31;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;1-22(2,21)9-5-3-8(4-6-9)19-12-18-7-10(11(14)20-12)13(15,16)17/h6-13H,14H2,1-5H3,(H,27,28,29);4-9,12-13H,10-11,14H2,1-3H3,(H,27,28,29);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);3-7H,1-2H3,(H,18,19,20)
InChIKeyBIGDIUIEWAWEMB-UHFFFAOYSA-N
MW2710.86 g/mol
LogP30.86
Rot. Bonds31

About 4-(1-benzothiophen-3-yl)-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidin-2-amine;4-chloro-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidin-2-amine;4-N-[(3,4-dimethoxyphenyl)methyl]-2-N-(4-dimethylphosphorylphenyl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine;N-(4-dimethylphosphorylphenyl)-4-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-5-(trifluoromethyl)pyrimidin-2-amine;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;4-chloro-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidin-2-amine;4-N-[(3,4-dimethoxyphenyl)methyl]-2-N-(4-dimethylphosphorylphenyl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine;N-(4-dimethylphosphorylphenyl)-4-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-5-(trifluoromethyl)pyrimidin-2-amine;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 157357422) has the molecular formula C123H121ClF18N22O11P6S2 and a molecular weight of 2710.86 g/mol. Its IUPAC name is 4-(1-benzothiophen-3-yl)-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidin-2-amine;4-chloro-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidin-2-amine;4-N-[(3,4-dimethoxyphenyl)methyl]-2-N-(4-dimethylphosphorylphenyl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine;N-(4-dimethylphosphorylphenyl)-4-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-5-(trifluoromethyl)pyrimidin-2-amine;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;4-chloro-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidin-2-amine;4-N-[(3,4-dimethoxyphenyl)methyl]-2-N-(4-dimethylphosphorylphenyl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine;N-(4-dimethylphosphorylphenyl)-4-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-5-(trifluoromethyl)pyrimidin-2-amine;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 CID157357422
Molecular FormulaC123H121ClF18N22O11P6S2
Molecular Weight2710.86 g/mol
Exact Mass2708.69
IUPAC Name4-(1-benzothiophen-3-yl)-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidin-2-amine;4-chloro-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidin-2-amine;4-N-[(3,4-dimethoxyphenyl)methyl]-2-N-(4-dimethylphosphorylphenyl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine;N-(4-dimethylphosphorylphenyl)-4-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-5-(trifluoromethyl)pyrimidin-2-amine;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
SMILESCOc1ccc(CN(C)c2nc(Nc3ccc(P(C)(C)=O)cc3)ncc2C(F)(F)F)cc1OC.COc1ccc2c(c1)CN(c1nc(Nc3ccc(P(C)(C)=O)cc3)ncc1C(F)(F)F)CC2.CP(C)(=O)c1ccc(Nc2ncc(C(F)(F)F)c(-c3csc4ccccc34)n2)cc1.CP(C)(=O)c1ccc(Nc2ncc(C(F)(F)F)c(Cl)n2)cc1.CP(C)(=O)c1ccc(Nc2ncc(C(F)(F)F)c(NCc3cccc(S(C)(=O)=O)c3)n2)cc1.Cn1ccc2ccc(-c3nc(Nc4ccc(P(C)(C)=O)cc4)ncc3C(F)(F)F)cc21
InChIInChI=1S/C23H26F3N4O3P.C23H24F3N4O2P.C22H20F3N4OP.C21H22F3N4O3PS.C21H17F3N3OPS.C13H12ClF3N3OP/c1-30(14-15-6-11-19(32-2)20(12-15)33-3)21-18(23(24,25)26)13-27-22(29-21)28-16-7-9-17(10-8-16)34(4,5)31;1-32-18-7-4-15-10-11-30(14-16(15)12-18)21-20(23(24,25)26)13-27-22(29-21)28-17-5-8-19(9-6-17)33(2,3)31;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;1-22(2,21)9-5-3-8(4-6-9)19-12-18-7-10(11(14)20-12)13(15,16)17/h6-13H,14H2,1-5H3,(H,27,28,29);4-9,12-13H,10-11,14H2,1-3H3,(H,27,28,29);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);3-7H,1-2H3,(H,18,19,20)
InChIKeyBIGDIUIEWAWEMB-UHFFFAOYSA-N
XLogP30.86
TPSA414.55 Ų
H-Bond Donors7
H-Bond Acceptors34
Rotatable Bonds31
Heavy Atoms183
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002710.86
LogP ≤ 530.86
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1034

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;4-chloro-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidin-2-amine;4-N-[(3,4-dimethoxyphenyl)methyl]-2-N-(4-dimethylphosphorylphenyl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine;N-(4-dimethylphosphorylphenyl)-4-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-5-(trifluoromethyl)pyrimidin-2-amine;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

4-(1-benzothiophen-3-yl)-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidin-2-amine;4-chloro-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidin-2-amine;4-N-[(3,4-dimethoxyphenyl)methyl]-2-N-(4-dimethylphosphorylphenyl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine;N-(4-dimethylphosphorylphenyl)-4-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-5-(trifluoromethyl)pyrimidin-2-amine;N-(4-dimethylphosphorylphenyl)-4-(1-methylindol-6-yl)-5-(trifluoromethyl)pyrimidin-2-amine
CID 157559551
4-N-(1-benzylpiperidin-4-yl)-2-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidin-2-amine;2-N-(4-dimethylphosphorylphenyl)-4-N-[2-(1H-indol-3-yl)ethyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine;2-N-(4-dimethylphosphorylphenyl)-4-N-(pyridin-4-ylmethyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;2-N-(4-dimethylphosphorylphenyl)-4-N-(thiophen-2-ylmethyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 158684482
4-(1-benzothiophen-3-yl)-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidin-2-amine;4-chloro-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidin-2-amine;4-N-[(3,4-dimethoxyphenyl)methyl]-2-N-(4-dimethylphosphorylphenyl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine;2-N-(4-dimethylphosphorylphenyl)-4-N-[(1-methylindol-6-yl)methyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine;2-N-(4-dimethylphosphorylphenyl)-4-N-[(3-methylsulfonylphenyl)methyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 159418632
4-N-(1-benzylpiperidin-4-yl)-2-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidin-2-amine;2-N-(4-dimethylphosphorylphenyl)-4-N-[2-(1H-indol-3-yl)ethyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine;2-N-(4-dimethylphosphorylphenyl)-4-N-(oxolan-2-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;2-N-(4-dimethylphosphorylphenyl)-4-N-(2-phenylethyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;2-N-(4-dimethylphosphorylphenyl)-4-N-(pyridin-4-ylmethyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;2-N-(4-dimethylphosphorylphenyl)-4-N-(thiophen-2-ylmethyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 160470611
4-N-(4-anilinophenyl)-2-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;5-chloro-2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;4-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidin-2-amine;4-N-(4-dimethylphosphorylphenyl)-2-N-(4-morpholin-4-ylphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;2-N-(4-dimethylphosphorylphenyl)-4-N-propan-2-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine;N-(4-dimethylphosphorylphenyl)-4-pyrrolidin-1-yl-5-(trifluoromethyl)pyrimidin-2-amine
CID 162055840

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzothiophen-3-yl)-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidin-2-amine;4-chloro-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidin-2-amine;4-N-[(3,4-dimethoxyphenyl)methyl]-2-N-(4-dimethylphosphorylphenyl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine;N-(4-dimethylphosphorylphenyl)-4-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-5-(trifluoromethyl)pyrimidin-2-amine;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;4-chloro-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidin-2-amine;4-N-[(3,4-dimethoxyphenyl)methyl]-2-N-(4-dimethylphosphorylphenyl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine;N-(4-dimethylphosphorylphenyl)-4-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-5-(trifluoromethyl)pyrimidin-2-amine;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 157357422) is 4-(1-benzothiophen-3-yl)-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidin-2-amine;4-chloro-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidin-2-amine;4-N-[(3,4-dimethoxyphenyl)methyl]-2-N-(4-dimethylphosphorylphenyl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine;N-(4-dimethylphosphorylphenyl)-4-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-5-(trifluoromethyl)pyrimidin-2-amine;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;4-chloro-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidin-2-amine;4-N-[(3,4-dimethoxyphenyl)methyl]-2-N-(4-dimethylphosphorylphenyl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine;N-(4-dimethylphosphorylphenyl)-4-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-5-(trifluoromethyl)pyrimidin-2-amine;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;4-chloro-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidin-2-amine;4-N-[(3,4-dimethoxyphenyl)methyl]-2-N-(4-dimethylphosphorylphenyl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine;N-(4-dimethylphosphorylphenyl)-4-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-5-(trifluoromethyl)pyrimidin-2-amine;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 COc1ccc(CN(C)c2nc(Nc3ccc(P(C)(C)=O)cc3)ncc2C(F)(F)F)cc1OC.COc1ccc2c(c1)CN(c1nc(Nc3ccc(P(C)(C)=O)cc3)ncc1C(F)(F)F)CC2.CP(C)(=O)c1ccc(Nc2ncc(C(F)(F)F)c(-c3csc4ccccc34)n2)cc1.CP(C)(=O)c1ccc(Nc2ncc(C(F)(F)F)c(Cl)n2)cc1.CP(C)(=O)c1ccc(Nc2ncc(C(F)(F)F)c(NCc3cccc(S(C)(=O)=O)c3)n2)cc1.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;4-chloro-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidin-2-amine;4-N-[(3,4-dimethoxyphenyl)methyl]-2-N-(4-dimethylphosphorylphenyl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine;N-(4-dimethylphosphorylphenyl)-4-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-5-(trifluoromethyl)pyrimidin-2-amine;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 BIGDIUIEWAWEMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F3N4O3P.C23H24F3N4O2P.C22H20F3N4OP.C21H22F3N4O3PS.C21H17F3N3OPS.C13H12ClF3N3OP/c1-30(14-15-6-11-19(32-2)20(12-15)33-3)21-18(23(24,25)26)13-27-22(29-21)28-16-7-9-17(10-8-16)34(4,5)31;1-32-18-7-4-15-10-11-30(14-16(15)12-18)21-20(23(24,25)26)13-27-22(29-21)28-17-5-8-19(9-6-17)33(2,3)31;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;1-22(2,21)9-5-3-8(4-6-9)19-12-18-7-10(11(14)20-12)13(15,16)17/h6-13H,14H2,1-5H3,(H,27,28,29);4-9,12-13H,10-11,14H2,1-3H3,(H,27,28,29);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);3-7H,1-2H3,(H,18,19,20).
What are the key properties of 4-(1-benzothiophen-3-yl)-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidin-2-amine;4-chloro-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidin-2-amine;4-N-[(3,4-dimethoxyphenyl)methyl]-2-N-(4-dimethylphosphorylphenyl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine;N-(4-dimethylphosphorylphenyl)-4-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-5-(trifluoromethyl)pyrimidin-2-amine;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;4-chloro-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidin-2-amine;4-N-[(3,4-dimethoxyphenyl)methyl]-2-N-(4-dimethylphosphorylphenyl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine;N-(4-dimethylphosphorylphenyl)-4-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-5-(trifluoromethyl)pyrimidin-2-amine;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 2710.86 g/mol, XLogP of 30.86, 31 rotatable bonds, 7 hydrogen bond donors, and 34 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;4-chloro-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidin-2-amine;4-N-[(3,4-dimethoxyphenyl)methyl]-2-N-(4-dimethylphosphorylphenyl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine;N-(4-dimethylphosphorylphenyl)-4-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-5-(trifluoromethyl)pyrimidin-2-amine;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 157357422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).