9-cycloheptyl-N-cyclopropyl-2-(trifluoromethyl)purin-6-amine;9-cycloheptyl-N-methyl-2-(trifluoromethyl)purin-6-amine;9-cyclohexyl-N-cyclopropyl-2-(trifluoromethyl)purin-6-amine;9-cyclopentyl-N-methyl-2-(trifluoromethyl)purin-6-amine;N-cyclopropyl-9-[(3,4-dimethoxyphenyl)methyl]-2-(trifluoromethyl)purin-6-amine

C75H88F15N25O2 — CID 173227890

IUPAC9-cycloheptyl-N-cyclopropyl-2-(trifluoromethyl)purin-6-amine;9-cycloheptyl-N-methyl-2-(trifluoromethyl)purin-6-amine;9-cyclohexyl-N-cyclopropyl-2-(trifluoromethyl)purin-6-amine;9-cyclopentyl-N-methyl-2-(trifluoromethyl)purin-6-amine;N-cyclopropyl-9-[(3,4-dimethoxyphenyl)methyl]-2-(trifluoromethyl)purin-6-amine
SMILESCNc1nc(C(F)(F)F)nc2c1ncn2C1CCCC1.CNc1nc(C(F)(F)F)nc2c1ncn2C1CCCCCC1.COc1ccc(Cn2cnc3c(NC4CC4)nc(C(F)(F)F)nc32)cc1OC.FC(F)(F)c1nc(NC2CC2)c2ncn(C3CCCCC3)c2n1.FC(F)(F)c1nc(NC2CC2)c2ncn(C3CCCCCC3)c2n1
InChIInChI=1S/C18H18F3N5O2.C16H20F3N5.C15H18F3N5.C14H18F3N5.C12H14F3N5/c1-27-12-6-3-10(7-13(12)28-2)8-26-9-22-14-15(23-11-4-5-11)24-17(18(19,20)21)25-16(14)26;17-16(18,19)15-22-13(21-10-7-8-10)12-14(23-15)24(9-20-12)11-5-3-1-2-4-6-11;16-15(17,18)14-21-12(20-9-6-7-9)11-13(22-14)23(8-19-11)10-4-2-1-3-5-10;1-18-11-10-12(21-13(20-11)14(15,16)17)22(8-19-10)9-6-4-2-3-5-7-9;1-16-9-8-10(19-11(18-9)12(13,14)15)20(6-17-8)7-4-2-3-5-7/h3,6-7,9,11H,4-5,8H2,1-2H3,(H,23,24,25);9-11H,1-8H2,(H,21,22,23);8-10H,1-7H2,(H,20,21,22);8-9H,2-7H2,1H3,(H,18,20,21);6-7H,2-5H2,1H3,(H,16,18,19)
InChIKeyHGFSTLFISUOGPI-UHFFFAOYSA-N
MW1656.67 g/mol
LogP18.51
Rot. Bonds16

About 9-cycloheptyl-N-cyclopropyl-2-(trifluoromethyl)purin-6-amine;9-cycloheptyl-N-methyl-2-(trifluoromethyl)purin-6-amine;9-cyclohexyl-N-cyclopropyl-2-(trifluoromethyl)purin-6-amine;9-cyclopentyl-N-methyl-2-(trifluoromethyl)purin-6-amine;N-cyclopropyl-9-[(3,4-dimethoxyphenyl)methyl]-2-(trifluoromethyl)purin-6-amine

9-cycloheptyl-N-cyclopropyl-2-(trifluoromethyl)purin-6-amine;9-cycloheptyl-N-methyl-2-(trifluoromethyl)purin-6-amine;9-cyclohexyl-N-cyclopropyl-2-(trifluoromethyl)purin-6-amine;9-cyclopentyl-N-methyl-2-(trifluoromethyl)purin-6-amine;N-cyclopropyl-9-[(3,4-dimethoxyphenyl)methyl]-2-(trifluoromethyl)purin-6-amine (PubChem CID 173227890) has the molecular formula C75H88F15N25O2 and a molecular weight of 1656.67 g/mol. Its IUPAC name is 9-cycloheptyl-N-cyclopropyl-2-(trifluoromethyl)purin-6-amine;9-cycloheptyl-N-methyl-2-(trifluoromethyl)purin-6-amine;9-cyclohexyl-N-cyclopropyl-2-(trifluoromethyl)purin-6-amine;9-cyclopentyl-N-methyl-2-(trifluoromethyl)purin-6-amine;N-cyclopropyl-9-[(3,4-dimethoxyphenyl)methyl]-2-(trifluoromethyl)purin-6-amine.

Molecular Properties

Compound Name9-cycloheptyl-N-cyclopropyl-2-(trifluoromethyl)purin-6-amine;9-cycloheptyl-N-methyl-2-(trifluoromethyl)purin-6-amine;9-cyclohexyl-N-cyclopropyl-2-(trifluoromethyl)purin-6-amine;9-cyclopentyl-N-methyl-2-(trifluoromethyl)purin-6-amine;N-cyclopropyl-9-[(3,4-dimethoxyphenyl)methyl]-2-(trifluoromethyl)purin-6-amine
PubChem CID173227890
Molecular FormulaC75H88F15N25O2
Molecular Weight1656.67 g/mol
Exact Mass1655.73
IUPAC Name9-cycloheptyl-N-cyclopropyl-2-(trifluoromethyl)purin-6-amine;9-cycloheptyl-N-methyl-2-(trifluoromethyl)purin-6-amine;9-cyclohexyl-N-cyclopropyl-2-(trifluoromethyl)purin-6-amine;9-cyclopentyl-N-methyl-2-(trifluoromethyl)purin-6-amine;N-cyclopropyl-9-[(3,4-dimethoxyphenyl)methyl]-2-(trifluoromethyl)purin-6-amine
SMILESCNc1nc(C(F)(F)F)nc2c1ncn2C1CCCC1.CNc1nc(C(F)(F)F)nc2c1ncn2C1CCCCCC1.COc1ccc(Cn2cnc3c(NC4CC4)nc(C(F)(F)F)nc32)cc1OC.FC(F)(F)c1nc(NC2CC2)c2ncn(C3CCCCC3)c2n1.FC(F)(F)c1nc(NC2CC2)c2ncn(C3CCCCCC3)c2n1
InChIInChI=1S/C18H18F3N5O2.C16H20F3N5.C15H18F3N5.C14H18F3N5.C12H14F3N5/c1-27-12-6-3-10(7-13(12)28-2)8-26-9-22-14-15(23-11-4-5-11)24-17(18(19,20)21)25-16(14)26;17-16(18,19)15-22-13(21-10-7-8-10)12-14(23-15)24(9-20-12)11-5-3-1-2-4-6-11;16-15(17,18)14-21-12(20-9-6-7-9)11-13(22-14)23(8-19-11)10-4-2-1-3-5-10;1-18-11-10-12(21-13(20-11)14(15,16)17)22(8-19-10)9-6-4-2-3-5-7-9;1-16-9-8-10(19-11(18-9)12(13,14)15)20(6-17-8)7-4-2-3-5-7/h3,6-7,9,11H,4-5,8H2,1-2H3,(H,23,24,25);9-11H,1-8H2,(H,21,22,23);8-10H,1-7H2,(H,20,21,22);8-9H,2-7H2,1H3,(H,18,20,21);6-7H,2-5H2,1H3,(H,16,18,19)
InChIKeyHGFSTLFISUOGPI-UHFFFAOYSA-N
XLogP18.51
TPSA296.61 Ų
H-Bond Donors5
H-Bond Acceptors27
Rotatable Bonds16
Heavy Atoms117
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001656.67
LogP ≤ 518.51
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1027

Analyze 9-cycloheptyl-N-cyclopropyl-2-(trifluoromethyl)purin-6-amine;9-cycloheptyl-N-methyl-2-(trifluoromethyl)purin-6-amine;9-cyclohexyl-N-cyclopropyl-2-(trifluoromethyl)purin-6-amine;9-cyclopentyl-N-methyl-2-(trifluoromethyl)purin-6-amine;N-cyclopropyl-9-[(3,4-dimethoxyphenyl)methyl]-2-(trifluoromethyl)purin-6-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-cycloheptyl-N-cyclopropyl-2-(trifluoromethyl)purin-6-amine;9-cycloheptyl-N-methyl-2-(trifluoromethyl)purin-6-amine;9-cyclohexyl-N-cyclopropyl-2-(trifluoromethyl)purin-6-amine;9-cyclopentyl-N-methyl-2-(trifluoromethyl)purin-6-amine;N-cyclopropyl-9-[(3,4-dimethoxyphenyl)methyl]-2-(trifluoromethyl)purin-6-amine?
The IUPAC name of 9-cycloheptyl-N-cyclopropyl-2-(trifluoromethyl)purin-6-amine;9-cycloheptyl-N-methyl-2-(trifluoromethyl)purin-6-amine;9-cyclohexyl-N-cyclopropyl-2-(trifluoromethyl)purin-6-amine;9-cyclopentyl-N-methyl-2-(trifluoromethyl)purin-6-amine;N-cyclopropyl-9-[(3,4-dimethoxyphenyl)methyl]-2-(trifluoromethyl)purin-6-amine (CID 173227890) is 9-cycloheptyl-N-cyclopropyl-2-(trifluoromethyl)purin-6-amine;9-cycloheptyl-N-methyl-2-(trifluoromethyl)purin-6-amine;9-cyclohexyl-N-cyclopropyl-2-(trifluoromethyl)purin-6-amine;9-cyclopentyl-N-methyl-2-(trifluoromethyl)purin-6-amine;N-cyclopropyl-9-[(3,4-dimethoxyphenyl)methyl]-2-(trifluoromethyl)purin-6-amine.
What is the SMILES notation for 9-cycloheptyl-N-cyclopropyl-2-(trifluoromethyl)purin-6-amine;9-cycloheptyl-N-methyl-2-(trifluoromethyl)purin-6-amine;9-cyclohexyl-N-cyclopropyl-2-(trifluoromethyl)purin-6-amine;9-cyclopentyl-N-methyl-2-(trifluoromethyl)purin-6-amine;N-cyclopropyl-9-[(3,4-dimethoxyphenyl)methyl]-2-(trifluoromethyl)purin-6-amine?
The canonical SMILES for 9-cycloheptyl-N-cyclopropyl-2-(trifluoromethyl)purin-6-amine;9-cycloheptyl-N-methyl-2-(trifluoromethyl)purin-6-amine;9-cyclohexyl-N-cyclopropyl-2-(trifluoromethyl)purin-6-amine;9-cyclopentyl-N-methyl-2-(trifluoromethyl)purin-6-amine;N-cyclopropyl-9-[(3,4-dimethoxyphenyl)methyl]-2-(trifluoromethyl)purin-6-amine is CNc1nc(C(F)(F)F)nc2c1ncn2C1CCCC1.CNc1nc(C(F)(F)F)nc2c1ncn2C1CCCCCC1.COc1ccc(Cn2cnc3c(NC4CC4)nc(C(F)(F)F)nc32)cc1OC.FC(F)(F)c1nc(NC2CC2)c2ncn(C3CCCCC3)c2n1.FC(F)(F)c1nc(NC2CC2)c2ncn(C3CCCCCC3)c2n1.
What is the InChIKey of 9-cycloheptyl-N-cyclopropyl-2-(trifluoromethyl)purin-6-amine;9-cycloheptyl-N-methyl-2-(trifluoromethyl)purin-6-amine;9-cyclohexyl-N-cyclopropyl-2-(trifluoromethyl)purin-6-amine;9-cyclopentyl-N-methyl-2-(trifluoromethyl)purin-6-amine;N-cyclopropyl-9-[(3,4-dimethoxyphenyl)methyl]-2-(trifluoromethyl)purin-6-amine?
The InChIKey is HGFSTLFISUOGPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N5O2.C16H20F3N5.C15H18F3N5.C14H18F3N5.C12H14F3N5/c1-27-12-6-3-10(7-13(12)28-2)8-26-9-22-14-15(23-11-4-5-11)24-17(18(19,20)21)25-16(14)26;17-16(18,19)15-22-13(21-10-7-8-10)12-14(23-15)24(9-20-12)11-5-3-1-2-4-6-11;16-15(17,18)14-21-12(20-9-6-7-9)11-13(22-14)23(8-19-11)10-4-2-1-3-5-10;1-18-11-10-12(21-13(20-11)14(15,16)17)22(8-19-10)9-6-4-2-3-5-7-9;1-16-9-8-10(19-11(18-9)12(13,14)15)20(6-17-8)7-4-2-3-5-7/h3,6-7,9,11H,4-5,8H2,1-2H3,(H,23,24,25);9-11H,1-8H2,(H,21,22,23);8-10H,1-7H2,(H,20,21,22);8-9H,2-7H2,1H3,(H,18,20,21);6-7H,2-5H2,1H3,(H,16,18,19).
What are the key properties of 9-cycloheptyl-N-cyclopropyl-2-(trifluoromethyl)purin-6-amine;9-cycloheptyl-N-methyl-2-(trifluoromethyl)purin-6-amine;9-cyclohexyl-N-cyclopropyl-2-(trifluoromethyl)purin-6-amine;9-cyclopentyl-N-methyl-2-(trifluoromethyl)purin-6-amine;N-cyclopropyl-9-[(3,4-dimethoxyphenyl)methyl]-2-(trifluoromethyl)purin-6-amine?
9-cycloheptyl-N-cyclopropyl-2-(trifluoromethyl)purin-6-amine;9-cycloheptyl-N-methyl-2-(trifluoromethyl)purin-6-amine;9-cyclohexyl-N-cyclopropyl-2-(trifluoromethyl)purin-6-amine;9-cyclopentyl-N-methyl-2-(trifluoromethyl)purin-6-amine;N-cyclopropyl-9-[(3,4-dimethoxyphenyl)methyl]-2-(trifluoromethyl)purin-6-amine has a molecular weight of 1656.67 g/mol, XLogP of 18.51, 16 rotatable bonds, 5 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cycloheptyl-N-cyclopropyl-2-(trifluoromethyl)purin-6-amine;9-cycloheptyl-N-methyl-2-(trifluoromethyl)purin-6-amine;9-cyclohexyl-N-cyclopropyl-2-(trifluoromethyl)purin-6-amine;9-cyclopentyl-N-methyl-2-(trifluoromethyl)purin-6-amine;N-cyclopropyl-9-[(3,4-dimethoxyphenyl)methyl]-2-(trifluoromethyl)purin-6-amine is sourced from PubChem (CID 173227890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).