N,2-diphenyl-9-propan-2-ylpurin-6-amine;N-(2-methoxyphenyl)-2-phenyl-9-propan-2-ylpurin-6-amine;2-phenyl-9-propan-2-yl-N-[2-(trifluoromethyl)-4-pyridinyl]purin-6-amine;9-propan-2-yl-2-pyridin-3-yl-N-[2-(trifluoromethyl)-4-pyridinyl]purin-6-amine;9-propan-2-yl-N-[2-(trifluoromethyl)-4-pyridinyl]-2-[6-(trifluoromethyl)-2-pyridinyl]purin-6-amine

C100H88F12N30O — CID 165097964

IUPACN,2-diphenyl-9-propan-2-ylpurin-6-amine;N-(2-methoxyphenyl)-2-phenyl-9-propan-2-ylpurin-6-amine;2-phenyl-9-propan-2-yl-N-[2-(trifluoromethyl)-4-pyridinyl]purin-6-amine;9-propan-2-yl-2-pyridin-3-yl-N-[2-(trifluoromethyl)-4-pyridinyl]purin-6-amine;9-propan-2-yl-N-[2-(trifluoromethyl)-4-pyridinyl]-2-[6-(trifluoromethyl)-2-pyridinyl]purin-6-amine
SMILESCC(C)n1cnc2c(Nc3ccccc3)nc(-c3ccccc3)nc21.CC(C)n1cnc2c(Nc3ccnc(C(F)(F)F)c3)nc(-c3cccc(C(F)(F)F)n3)nc21.CC(C)n1cnc2c(Nc3ccnc(C(F)(F)F)c3)nc(-c3ccccc3)nc21.CC(C)n1cnc2c(Nc3ccnc(C(F)(F)F)c3)nc(-c3cccnc3)nc21.COc1ccccc1Nc1nc(-c2ccccc2)nc2c1ncn2C(C)C
InChIInChI=1S/C21H21N5O.C20H15F6N7.C20H17F3N6.C20H19N5.C19H16F3N7/c1-14(2)26-13-22-18-20(23-16-11-7-8-12-17(16)27-3)24-19(25-21(18)26)15-9-5-4-6-10-15;1-10(2)33-9-28-15-17(29-11-6-7-27-14(8-11)20(24,25)26)31-16(32-18(15)33)12-4-3-5-13(30-12)19(21,22)23;1-12(2)29-11-25-16-18(26-14-8-9-24-15(10-14)20(21,22)23)27-17(28-19(16)29)13-6-4-3-5-7-13;1-14(2)25-13-21-17-19(22-16-11-7-4-8-12-16)23-18(24-20(17)25)15-9-5-3-6-10-15;1-11(2)29-10-25-15-17(26-13-5-7-24-14(8-13)19(20,21)22)27-16(28-18(15)29)12-4-3-6-23-9-12/h4-14H,1-3H3,(H,23,24,25);3-10H,1-2H3,(H,27,29,31,32);3-12H,1-2H3,(H,24,26,27,28);3-14H,1-2H3,(H,22,23,24);3-11H,1-2H3,(H,24,26,27,28)
InChIKeyXVFLVINPBSKELI-UHFFFAOYSA-N
MW1953.99 g/mol
LogP25.15
Rot. Bonds21

About N,2-diphenyl-9-propan-2-ylpurin-6-amine;N-(2-methoxyphenyl)-2-phenyl-9-propan-2-ylpurin-6-amine;2-phenyl-9-propan-2-yl-N-[2-(trifluoromethyl)-4-pyridinyl]purin-6-amine;9-propan-2-yl-2-pyridin-3-yl-N-[2-(trifluoromethyl)-4-pyridinyl]purin-6-amine;9-propan-2-yl-N-[2-(trifluoromethyl)-4-pyridinyl]-2-[6-(trifluoromethyl)-2-pyridinyl]purin-6-amine

N,2-diphenyl-9-propan-2-ylpurin-6-amine;N-(2-methoxyphenyl)-2-phenyl-9-propan-2-ylpurin-6-amine;2-phenyl-9-propan-2-yl-N-[2-(trifluoromethyl)-4-pyridinyl]purin-6-amine;9-propan-2-yl-2-pyridin-3-yl-N-[2-(trifluoromethyl)-4-pyridinyl]purin-6-amine;9-propan-2-yl-N-[2-(trifluoromethyl)-4-pyridinyl]-2-[6-(trifluoromethyl)-2-pyridinyl]purin-6-amine (PubChem CID 165097964) has the molecular formula C100H88F12N30O and a molecular weight of 1953.99 g/mol. Its IUPAC name is N,2-diphenyl-9-propan-2-ylpurin-6-amine;N-(2-methoxyphenyl)-2-phenyl-9-propan-2-ylpurin-6-amine;2-phenyl-9-propan-2-yl-N-[2-(trifluoromethyl)-4-pyridinyl]purin-6-amine;9-propan-2-yl-2-pyridin-3-yl-N-[2-(trifluoromethyl)-4-pyridinyl]purin-6-amine;9-propan-2-yl-N-[2-(trifluoromethyl)-4-pyridinyl]-2-[6-(trifluoromethyl)-2-pyridinyl]purin-6-amine.

Molecular Properties

Compound NameN,2-diphenyl-9-propan-2-ylpurin-6-amine;N-(2-methoxyphenyl)-2-phenyl-9-propan-2-ylpurin-6-amine;2-phenyl-9-propan-2-yl-N-[2-(trifluoromethyl)-4-pyridinyl]purin-6-amine;9-propan-2-yl-2-pyridin-3-yl-N-[2-(trifluoromethyl)-4-pyridinyl]purin-6-amine;9-propan-2-yl-N-[2-(trifluoromethyl)-4-pyridinyl]-2-[6-(trifluoromethyl)-2-pyridinyl]purin-6-amine
PubChem CID165097964
Molecular FormulaC100H88F12N30O
Molecular Weight1953.99 g/mol
Exact Mass1952.76
IUPAC NameN,2-diphenyl-9-propan-2-ylpurin-6-amine;N-(2-methoxyphenyl)-2-phenyl-9-propan-2-ylpurin-6-amine;2-phenyl-9-propan-2-yl-N-[2-(trifluoromethyl)-4-pyridinyl]purin-6-amine;9-propan-2-yl-2-pyridin-3-yl-N-[2-(trifluoromethyl)-4-pyridinyl]purin-6-amine;9-propan-2-yl-N-[2-(trifluoromethyl)-4-pyridinyl]-2-[6-(trifluoromethyl)-2-pyridinyl]purin-6-amine
SMILESCC(C)n1cnc2c(Nc3ccccc3)nc(-c3ccccc3)nc21.CC(C)n1cnc2c(Nc3ccnc(C(F)(F)F)c3)nc(-c3cccc(C(F)(F)F)n3)nc21.CC(C)n1cnc2c(Nc3ccnc(C(F)(F)F)c3)nc(-c3ccccc3)nc21.CC(C)n1cnc2c(Nc3ccnc(C(F)(F)F)c3)nc(-c3cccnc3)nc21.COc1ccccc1Nc1nc(-c2ccccc2)nc2c1ncn2C(C)C
InChIInChI=1S/C21H21N5O.C20H15F6N7.C20H17F3N6.C20H19N5.C19H16F3N7/c1-14(2)26-13-22-18-20(23-16-11-7-8-12-17(16)27-3)24-19(25-21(18)26)15-9-5-4-6-10-15;1-10(2)33-9-28-15-17(29-11-6-7-27-14(8-11)20(24,25)26)31-16(32-18(15)33)12-4-3-5-13(30-12)19(21,22)23;1-12(2)29-11-25-16-18(26-14-8-9-24-15(10-14)20(21,22)23)27-17(28-19(16)29)13-6-4-3-5-7-13;1-14(2)25-13-21-17-19(22-16-11-7-4-8-12-16)23-18(24-20(17)25)15-9-5-3-6-10-15;1-11(2)29-10-25-15-17(26-13-5-7-24-14(8-13)19(20,21)22)27-16(28-18(15)29)12-4-3-6-23-9-12/h4-14H,1-3H3,(H,23,24,25);3-10H,1-2H3,(H,27,29,31,32);3-12H,1-2H3,(H,24,26,27,28);3-14H,1-2H3,(H,22,23,24);3-11H,1-2H3,(H,24,26,27,28)
InChIKeyXVFLVINPBSKELI-UHFFFAOYSA-N
XLogP25.15
TPSA351.83 Ų
H-Bond Donors5
H-Bond Acceptors31
Rotatable Bonds21
Heavy Atoms143
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001953.99
LogP ≤ 525.15
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1031

Analyze N,2-diphenyl-9-propan-2-ylpurin-6-amine;N-(2-methoxyphenyl)-2-phenyl-9-propan-2-ylpurin-6-amine;2-phenyl-9-propan-2-yl-N-[2-(trifluoromethyl)-4-pyridinyl]purin-6-amine;9-propan-2-yl-2-pyridin-3-yl-N-[2-(trifluoromethyl)-4-pyridinyl]purin-6-amine;9-propan-2-yl-N-[2-(trifluoromethyl)-4-pyridinyl]-2-[6-(trifluoromethyl)-2-pyridinyl]purin-6-amine with MolForge

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Launch Full Analysis

Related Compounds

8-(4,4-dimethylcyclohexyl)-10-methoxy-N-[5-(4-pyrrolidin-1-ylpiperidin-1-yl)-2-pyridinyl]-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine
CID 58299814
2-(6-morpholin-4-yl-3-pyridinyl)-N-(2-phenoxyethyl)-9-[[4-(trifluoromethyl)phenyl]methyl]purin-6-amine
CID 117082690
N-(2-phenoxyethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)-9-[[4-(trifluoromethyl)phenyl]methyl]purin-6-amine
CID 117083136
2-(6-morpholin-4-yl-3-pyridinyl)-N-(4-phenoxyphenyl)-9-[[4-(trifluoromethyl)phenyl]methyl]purin-6-amine
CID 117083748
N-[2-(4-methoxyphenyl)ethyl]-2-(4-pyridin-2-ylpiperazin-1-yl)-9-[[4-(trifluoromethyl)phenyl]methyl]purin-6-amine
CID 117084058
N-[2-(4-methoxyphenyl)ethyl]-2-(6-morpholin-4-yl-3-pyridinyl)-9-[[4-(trifluoromethyl)phenyl]methyl]purin-6-amine
CID 117085786
1-[2-Methoxy-5-(trifluoromethyl)phenyl]-3-[3-[8-(2-pyridin-3-ylimidazol-1-yl)imidazo[1,2-a]pyrazin-6-yl]phenyl]urea
CID 10437997
4-[2-(2-benzyl-3H-benzimidazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-N-[2-methoxy-5-(trifluoromethyl)phenyl]pyrimidin-2-amine
CID 49833060
4-(1-propan-2-ylpyrrolo[2,3-c]pyridin-3-yl)-N-[2-(trifluoromethoxy)phenyl]pyrimidin-2-amine
CID 58367971
4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(2-methoxyphenyl)pyrimidin-2-amine
CID 58824598
6-(2-cyclopropylimidazo[1,2-a]pyridin-5-yl)-N-[4-(difluoromethoxy)phenyl]pyrazin-2-amine;6-(2-cyclopropylimidazo[1,2-a]pyridin-5-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
CID 118094917
2-[3-(Fluoromethoxy)phenyl]-7-pyrrolidin-1-ylimidazo[1,2-a]pyrimidine;7-(4-fluoropiperidin-1-yl)-2-(4-pyrrolidin-1-ylphenyl)imidazo[1,2-a]pyrimidine;7-(4-fluoropiperidin-1-yl)-2-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine
CID 118975974

Frequently Asked Questions

What is the IUPAC name of N,2-diphenyl-9-propan-2-ylpurin-6-amine;N-(2-methoxyphenyl)-2-phenyl-9-propan-2-ylpurin-6-amine;2-phenyl-9-propan-2-yl-N-[2-(trifluoromethyl)-4-pyridinyl]purin-6-amine;9-propan-2-yl-2-pyridin-3-yl-N-[2-(trifluoromethyl)-4-pyridinyl]purin-6-amine;9-propan-2-yl-N-[2-(trifluoromethyl)-4-pyridinyl]-2-[6-(trifluoromethyl)-2-pyridinyl]purin-6-amine?
The IUPAC name of N,2-diphenyl-9-propan-2-ylpurin-6-amine;N-(2-methoxyphenyl)-2-phenyl-9-propan-2-ylpurin-6-amine;2-phenyl-9-propan-2-yl-N-[2-(trifluoromethyl)-4-pyridinyl]purin-6-amine;9-propan-2-yl-2-pyridin-3-yl-N-[2-(trifluoromethyl)-4-pyridinyl]purin-6-amine;9-propan-2-yl-N-[2-(trifluoromethyl)-4-pyridinyl]-2-[6-(trifluoromethyl)-2-pyridinyl]purin-6-amine (CID 165097964) is N,2-diphenyl-9-propan-2-ylpurin-6-amine;N-(2-methoxyphenyl)-2-phenyl-9-propan-2-ylpurin-6-amine;2-phenyl-9-propan-2-yl-N-[2-(trifluoromethyl)-4-pyridinyl]purin-6-amine;9-propan-2-yl-2-pyridin-3-yl-N-[2-(trifluoromethyl)-4-pyridinyl]purin-6-amine;9-propan-2-yl-N-[2-(trifluoromethyl)-4-pyridinyl]-2-[6-(trifluoromethyl)-2-pyridinyl]purin-6-amine.
What is the SMILES notation for N,2-diphenyl-9-propan-2-ylpurin-6-amine;N-(2-methoxyphenyl)-2-phenyl-9-propan-2-ylpurin-6-amine;2-phenyl-9-propan-2-yl-N-[2-(trifluoromethyl)-4-pyridinyl]purin-6-amine;9-propan-2-yl-2-pyridin-3-yl-N-[2-(trifluoromethyl)-4-pyridinyl]purin-6-amine;9-propan-2-yl-N-[2-(trifluoromethyl)-4-pyridinyl]-2-[6-(trifluoromethyl)-2-pyridinyl]purin-6-amine?
The canonical SMILES for N,2-diphenyl-9-propan-2-ylpurin-6-amine;N-(2-methoxyphenyl)-2-phenyl-9-propan-2-ylpurin-6-amine;2-phenyl-9-propan-2-yl-N-[2-(trifluoromethyl)-4-pyridinyl]purin-6-amine;9-propan-2-yl-2-pyridin-3-yl-N-[2-(trifluoromethyl)-4-pyridinyl]purin-6-amine;9-propan-2-yl-N-[2-(trifluoromethyl)-4-pyridinyl]-2-[6-(trifluoromethyl)-2-pyridinyl]purin-6-amine is CC(C)n1cnc2c(Nc3ccccc3)nc(-c3ccccc3)nc21.CC(C)n1cnc2c(Nc3ccnc(C(F)(F)F)c3)nc(-c3cccc(C(F)(F)F)n3)nc21.CC(C)n1cnc2c(Nc3ccnc(C(F)(F)F)c3)nc(-c3ccccc3)nc21.CC(C)n1cnc2c(Nc3ccnc(C(F)(F)F)c3)nc(-c3cccnc3)nc21.COc1ccccc1Nc1nc(-c2ccccc2)nc2c1ncn2C(C)C.
What is the InChIKey of N,2-diphenyl-9-propan-2-ylpurin-6-amine;N-(2-methoxyphenyl)-2-phenyl-9-propan-2-ylpurin-6-amine;2-phenyl-9-propan-2-yl-N-[2-(trifluoromethyl)-4-pyridinyl]purin-6-amine;9-propan-2-yl-2-pyridin-3-yl-N-[2-(trifluoromethyl)-4-pyridinyl]purin-6-amine;9-propan-2-yl-N-[2-(trifluoromethyl)-4-pyridinyl]-2-[6-(trifluoromethyl)-2-pyridinyl]purin-6-amine?
The InChIKey is XVFLVINPBSKELI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O.C20H15F6N7.C20H17F3N6.C20H19N5.C19H16F3N7/c1-14(2)26-13-22-18-20(23-16-11-7-8-12-17(16)27-3)24-19(25-21(18)26)15-9-5-4-6-10-15;1-10(2)33-9-28-15-17(29-11-6-7-27-14(8-11)20(24,25)26)31-16(32-18(15)33)12-4-3-5-13(30-12)19(21,22)23;1-12(2)29-11-25-16-18(26-14-8-9-24-15(10-14)20(21,22)23)27-17(28-19(16)29)13-6-4-3-5-7-13;1-14(2)25-13-21-17-19(22-16-11-7-4-8-12-16)23-18(24-20(17)25)15-9-5-3-6-10-15;1-11(2)29-10-25-15-17(26-13-5-7-24-14(8-13)19(20,21)22)27-16(28-18(15)29)12-4-3-6-23-9-12/h4-14H,1-3H3,(H,23,24,25);3-10H,1-2H3,(H,27,29,31,32);3-12H,1-2H3,(H,24,26,27,28);3-14H,1-2H3,(H,22,23,24);3-11H,1-2H3,(H,24,26,27,28).
What are the key properties of N,2-diphenyl-9-propan-2-ylpurin-6-amine;N-(2-methoxyphenyl)-2-phenyl-9-propan-2-ylpurin-6-amine;2-phenyl-9-propan-2-yl-N-[2-(trifluoromethyl)-4-pyridinyl]purin-6-amine;9-propan-2-yl-2-pyridin-3-yl-N-[2-(trifluoromethyl)-4-pyridinyl]purin-6-amine;9-propan-2-yl-N-[2-(trifluoromethyl)-4-pyridinyl]-2-[6-(trifluoromethyl)-2-pyridinyl]purin-6-amine?
N,2-diphenyl-9-propan-2-ylpurin-6-amine;N-(2-methoxyphenyl)-2-phenyl-9-propan-2-ylpurin-6-amine;2-phenyl-9-propan-2-yl-N-[2-(trifluoromethyl)-4-pyridinyl]purin-6-amine;9-propan-2-yl-2-pyridin-3-yl-N-[2-(trifluoromethyl)-4-pyridinyl]purin-6-amine;9-propan-2-yl-N-[2-(trifluoromethyl)-4-pyridinyl]-2-[6-(trifluoromethyl)-2-pyridinyl]purin-6-amine has a molecular weight of 1953.99 g/mol, XLogP of 25.15, 21 rotatable bonds, 5 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-diphenyl-9-propan-2-ylpurin-6-amine;N-(2-methoxyphenyl)-2-phenyl-9-propan-2-ylpurin-6-amine;2-phenyl-9-propan-2-yl-N-[2-(trifluoromethyl)-4-pyridinyl]purin-6-amine;9-propan-2-yl-2-pyridin-3-yl-N-[2-(trifluoromethyl)-4-pyridinyl]purin-6-amine;9-propan-2-yl-N-[2-(trifluoromethyl)-4-pyridinyl]-2-[6-(trifluoromethyl)-2-pyridinyl]purin-6-amine is sourced from PubChem (CID 165097964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).