N-cyclopropyl-9-[(2,3-difluorophenyl)methyl]-2-(trifluoromethyl)purin-6-amine;N-cyclopropyl-9-[(2,6-difluorophenyl)methyl]-2-(trifluoromethyl)purin-6-amine;N-cyclopropyl-9-[(2-fluorophenyl)methyl]-2-(trifluoromethyl)purin-6-amine;N-cyclopropyl-9-[(4-fluorophenyl)methyl]-2-(trifluoromethyl)purin-6-amine;N-ethyl-9-[(2-fluorophenyl)methyl]-2-(trifluoromethyl)purin-6-amine

C79H63F22N25 — CID 173227757

IUPACN-cyclopropyl-9-[(2,3-difluorophenyl)methyl]-2-(trifluoromethyl)purin-6-amine;N-cyclopropyl-9-[(2,6-difluorophenyl)methyl]-2-(trifluoromethyl)purin-6-amine;N-cyclopropyl-9-[(2-fluorophenyl)methyl]-2-(trifluoromethyl)purin-6-amine;N-cyclopropyl-9-[(4-fluorophenyl)methyl]-2-(trifluoromethyl)purin-6-amine;N-ethyl-9-[(2-fluorophenyl)methyl]-2-(trifluoromethyl)purin-6-amine
SMILESCCNc1nc(C(F)(F)F)nc2c1ncn2Cc1ccccc1F.Fc1ccc(Cn2cnc3c(NC4CC4)nc(C(F)(F)F)nc32)cc1.Fc1cccc(Cn2cnc3c(NC4CC4)nc(C(F)(F)F)nc32)c1F.Fc1cccc(F)c1Cn1cnc2c(NC3CC3)nc(C(F)(F)F)nc21.Fc1ccccc1Cn1cnc2c(NC3CC3)nc(C(F)(F)F)nc21
InChIInChI=1S/2C16H12F5N5.2C16H13F4N5.C15H13F4N5/c17-10-2-1-3-11(18)9(10)6-26-7-22-12-13(23-8-4-5-8)24-15(16(19,20)21)25-14(12)26;17-10-3-1-2-8(11(10)18)6-26-7-22-12-13(23-9-4-5-9)24-15(16(19,20)21)25-14(12)26;17-10-3-1-9(2-4-10)7-25-8-21-12-13(22-11-5-6-11)23-15(16(18,19)20)24-14(12)25;17-11-4-2-1-3-9(11)7-25-8-21-12-13(22-10-5-6-10)23-15(16(18,19)20)24-14(12)25;1-2-20-12-11-13(23-14(22-12)15(17,18)19)24(8-21-11)7-9-5-3-4-6-10(9)16/h1-3,7-8H,4-6H2,(H,23,24,25);1-3,7,9H,4-6H2,(H,23,24,25);1-4,8,11H,5-7H2,(H,22,23,24);1-4,8,10H,5-7H2,(H,22,23,24);3-6,8H,2,7H2,1H3,(H,20,22,23)
InChIKeyPJSVQRFABGYWNR-UHFFFAOYSA-N
MW1780.50 g/mol
LogP18.17
Rot. Bonds20

About N-cyclopropyl-9-[(2,3-difluorophenyl)methyl]-2-(trifluoromethyl)purin-6-amine;N-cyclopropyl-9-[(2,6-difluorophenyl)methyl]-2-(trifluoromethyl)purin-6-amine;N-cyclopropyl-9-[(2-fluorophenyl)methyl]-2-(trifluoromethyl)purin-6-amine;N-cyclopropyl-9-[(4-fluorophenyl)methyl]-2-(trifluoromethyl)purin-6-amine;N-ethyl-9-[(2-fluorophenyl)methyl]-2-(trifluoromethyl)purin-6-amine

N-cyclopropyl-9-[(2,3-difluorophenyl)methyl]-2-(trifluoromethyl)purin-6-amine;N-cyclopropyl-9-[(2,6-difluorophenyl)methyl]-2-(trifluoromethyl)purin-6-amine;N-cyclopropyl-9-[(2-fluorophenyl)methyl]-2-(trifluoromethyl)purin-6-amine;N-cyclopropyl-9-[(4-fluorophenyl)methyl]-2-(trifluoromethyl)purin-6-amine;N-ethyl-9-[(2-fluorophenyl)methyl]-2-(trifluoromethyl)purin-6-amine (PubChem CID 173227757) has the molecular formula C79H63F22N25 and a molecular weight of 1780.50 g/mol. Its IUPAC name is N-cyclopropyl-9-[(2,3-difluorophenyl)methyl]-2-(trifluoromethyl)purin-6-amine;N-cyclopropyl-9-[(2,6-difluorophenyl)methyl]-2-(trifluoromethyl)purin-6-amine;N-cyclopropyl-9-[(2-fluorophenyl)methyl]-2-(trifluoromethyl)purin-6-amine;N-cyclopropyl-9-[(4-fluorophenyl)methyl]-2-(trifluoromethyl)purin-6-amine;N-ethyl-9-[(2-fluorophenyl)methyl]-2-(trifluoromethyl)purin-6-amine.

Molecular Properties

Compound NameN-cyclopropyl-9-[(2,3-difluorophenyl)methyl]-2-(trifluoromethyl)purin-6-amine;N-cyclopropyl-9-[(2,6-difluorophenyl)methyl]-2-(trifluoromethyl)purin-6-amine;N-cyclopropyl-9-[(2-fluorophenyl)methyl]-2-(trifluoromethyl)purin-6-amine;N-cyclopropyl-9-[(4-fluorophenyl)methyl]-2-(trifluoromethyl)purin-6-amine;N-ethyl-9-[(2-fluorophenyl)methyl]-2-(trifluoromethyl)purin-6-amine
PubChem CID173227757
Molecular FormulaC79H63F22N25
Molecular Weight1780.50 g/mol
Exact Mass1779.53
IUPAC NameN-cyclopropyl-9-[(2,3-difluorophenyl)methyl]-2-(trifluoromethyl)purin-6-amine;N-cyclopropyl-9-[(2,6-difluorophenyl)methyl]-2-(trifluoromethyl)purin-6-amine;N-cyclopropyl-9-[(2-fluorophenyl)methyl]-2-(trifluoromethyl)purin-6-amine;N-cyclopropyl-9-[(4-fluorophenyl)methyl]-2-(trifluoromethyl)purin-6-amine;N-ethyl-9-[(2-fluorophenyl)methyl]-2-(trifluoromethyl)purin-6-amine
SMILESCCNc1nc(C(F)(F)F)nc2c1ncn2Cc1ccccc1F.Fc1ccc(Cn2cnc3c(NC4CC4)nc(C(F)(F)F)nc32)cc1.Fc1cccc(Cn2cnc3c(NC4CC4)nc(C(F)(F)F)nc32)c1F.Fc1cccc(F)c1Cn1cnc2c(NC3CC3)nc(C(F)(F)F)nc21.Fc1ccccc1Cn1cnc2c(NC3CC3)nc(C(F)(F)F)nc21
InChIInChI=1S/2C16H12F5N5.2C16H13F4N5.C15H13F4N5/c17-10-2-1-3-11(18)9(10)6-26-7-22-12-13(23-8-4-5-8)24-15(16(19,20)21)25-14(12)26;17-10-3-1-2-8(11(10)18)6-26-7-22-12-13(23-9-4-5-9)24-15(16(19,20)21)25-14(12)26;17-10-3-1-9(2-4-10)7-25-8-21-12-13(22-11-5-6-11)23-15(16(18,19)20)24-14(12)25;17-11-4-2-1-3-9(11)7-25-8-21-12-13(22-10-5-6-10)23-15(16(18,19)20)24-14(12)25;1-2-20-12-11-13(23-14(22-12)15(17,18)19)24(8-21-11)7-9-5-3-4-6-10(9)16/h1-3,7-8H,4-6H2,(H,23,24,25);1-3,7,9H,4-6H2,(H,23,24,25);1-4,8,11H,5-7H2,(H,22,23,24);1-4,8,10H,5-7H2,(H,22,23,24);3-6,8H,2,7H2,1H3,(H,20,22,23)
InChIKeyPJSVQRFABGYWNR-UHFFFAOYSA-N
XLogP18.17
TPSA278.15 Ų
H-Bond Donors5
H-Bond Acceptors25
Rotatable Bonds20
Heavy Atoms126
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001780.50
LogP ≤ 518.17
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1025

Analyze N-cyclopropyl-9-[(2,3-difluorophenyl)methyl]-2-(trifluoromethyl)purin-6-amine;N-cyclopropyl-9-[(2,6-difluorophenyl)methyl]-2-(trifluoromethyl)purin-6-amine;N-cyclopropyl-9-[(2-fluorophenyl)methyl]-2-(trifluoromethyl)purin-6-amine;N-cyclopropyl-9-[(4-fluorophenyl)methyl]-2-(trifluoromethyl)purin-6-amine;N-ethyl-9-[(2-fluorophenyl)methyl]-2-(trifluoromethyl)purin-6-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-9-[(2,3-difluorophenyl)methyl]-2-(trifluoromethyl)purin-6-amine;N-cyclopropyl-9-[(2,6-difluorophenyl)methyl]-2-(trifluoromethyl)purin-6-amine;N-cyclopropyl-9-[(2-fluorophenyl)methyl]-2-(trifluoromethyl)purin-6-amine;N-cyclopropyl-9-[(4-fluorophenyl)methyl]-2-(trifluoromethyl)purin-6-amine;N-ethyl-9-[(2-fluorophenyl)methyl]-2-(trifluoromethyl)purin-6-amine?
The IUPAC name of N-cyclopropyl-9-[(2,3-difluorophenyl)methyl]-2-(trifluoromethyl)purin-6-amine;N-cyclopropyl-9-[(2,6-difluorophenyl)methyl]-2-(trifluoromethyl)purin-6-amine;N-cyclopropyl-9-[(2-fluorophenyl)methyl]-2-(trifluoromethyl)purin-6-amine;N-cyclopropyl-9-[(4-fluorophenyl)methyl]-2-(trifluoromethyl)purin-6-amine;N-ethyl-9-[(2-fluorophenyl)methyl]-2-(trifluoromethyl)purin-6-amine (CID 173227757) is N-cyclopropyl-9-[(2,3-difluorophenyl)methyl]-2-(trifluoromethyl)purin-6-amine;N-cyclopropyl-9-[(2,6-difluorophenyl)methyl]-2-(trifluoromethyl)purin-6-amine;N-cyclopropyl-9-[(2-fluorophenyl)methyl]-2-(trifluoromethyl)purin-6-amine;N-cyclopropyl-9-[(4-fluorophenyl)methyl]-2-(trifluoromethyl)purin-6-amine;N-ethyl-9-[(2-fluorophenyl)methyl]-2-(trifluoromethyl)purin-6-amine.
What is the SMILES notation for N-cyclopropyl-9-[(2,3-difluorophenyl)methyl]-2-(trifluoromethyl)purin-6-amine;N-cyclopropyl-9-[(2,6-difluorophenyl)methyl]-2-(trifluoromethyl)purin-6-amine;N-cyclopropyl-9-[(2-fluorophenyl)methyl]-2-(trifluoromethyl)purin-6-amine;N-cyclopropyl-9-[(4-fluorophenyl)methyl]-2-(trifluoromethyl)purin-6-amine;N-ethyl-9-[(2-fluorophenyl)methyl]-2-(trifluoromethyl)purin-6-amine?
The canonical SMILES for N-cyclopropyl-9-[(2,3-difluorophenyl)methyl]-2-(trifluoromethyl)purin-6-amine;N-cyclopropyl-9-[(2,6-difluorophenyl)methyl]-2-(trifluoromethyl)purin-6-amine;N-cyclopropyl-9-[(2-fluorophenyl)methyl]-2-(trifluoromethyl)purin-6-amine;N-cyclopropyl-9-[(4-fluorophenyl)methyl]-2-(trifluoromethyl)purin-6-amine;N-ethyl-9-[(2-fluorophenyl)methyl]-2-(trifluoromethyl)purin-6-amine is CCNc1nc(C(F)(F)F)nc2c1ncn2Cc1ccccc1F.Fc1ccc(Cn2cnc3c(NC4CC4)nc(C(F)(F)F)nc32)cc1.Fc1cccc(Cn2cnc3c(NC4CC4)nc(C(F)(F)F)nc32)c1F.Fc1cccc(F)c1Cn1cnc2c(NC3CC3)nc(C(F)(F)F)nc21.Fc1ccccc1Cn1cnc2c(NC3CC3)nc(C(F)(F)F)nc21.
What is the InChIKey of N-cyclopropyl-9-[(2,3-difluorophenyl)methyl]-2-(trifluoromethyl)purin-6-amine;N-cyclopropyl-9-[(2,6-difluorophenyl)methyl]-2-(trifluoromethyl)purin-6-amine;N-cyclopropyl-9-[(2-fluorophenyl)methyl]-2-(trifluoromethyl)purin-6-amine;N-cyclopropyl-9-[(4-fluorophenyl)methyl]-2-(trifluoromethyl)purin-6-amine;N-ethyl-9-[(2-fluorophenyl)methyl]-2-(trifluoromethyl)purin-6-amine?
The InChIKey is PJSVQRFABGYWNR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H12F5N5.2C16H13F4N5.C15H13F4N5/c17-10-2-1-3-11(18)9(10)6-26-7-22-12-13(23-8-4-5-8)24-15(16(19,20)21)25-14(12)26;17-10-3-1-2-8(11(10)18)6-26-7-22-12-13(23-9-4-5-9)24-15(16(19,20)21)25-14(12)26;17-10-3-1-9(2-4-10)7-25-8-21-12-13(22-11-5-6-11)23-15(16(18,19)20)24-14(12)25;17-11-4-2-1-3-9(11)7-25-8-21-12-13(22-10-5-6-10)23-15(16(18,19)20)24-14(12)25;1-2-20-12-11-13(23-14(22-12)15(17,18)19)24(8-21-11)7-9-5-3-4-6-10(9)16/h1-3,7-8H,4-6H2,(H,23,24,25);1-3,7,9H,4-6H2,(H,23,24,25);1-4,8,11H,5-7H2,(H,22,23,24);1-4,8,10H,5-7H2,(H,22,23,24);3-6,8H,2,7H2,1H3,(H,20,22,23).
What are the key properties of N-cyclopropyl-9-[(2,3-difluorophenyl)methyl]-2-(trifluoromethyl)purin-6-amine;N-cyclopropyl-9-[(2,6-difluorophenyl)methyl]-2-(trifluoromethyl)purin-6-amine;N-cyclopropyl-9-[(2-fluorophenyl)methyl]-2-(trifluoromethyl)purin-6-amine;N-cyclopropyl-9-[(4-fluorophenyl)methyl]-2-(trifluoromethyl)purin-6-amine;N-ethyl-9-[(2-fluorophenyl)methyl]-2-(trifluoromethyl)purin-6-amine?
N-cyclopropyl-9-[(2,3-difluorophenyl)methyl]-2-(trifluoromethyl)purin-6-amine;N-cyclopropyl-9-[(2,6-difluorophenyl)methyl]-2-(trifluoromethyl)purin-6-amine;N-cyclopropyl-9-[(2-fluorophenyl)methyl]-2-(trifluoromethyl)purin-6-amine;N-cyclopropyl-9-[(4-fluorophenyl)methyl]-2-(trifluoromethyl)purin-6-amine;N-ethyl-9-[(2-fluorophenyl)methyl]-2-(trifluoromethyl)purin-6-amine has a molecular weight of 1780.50 g/mol, XLogP of 18.17, 20 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-9-[(2,3-difluorophenyl)methyl]-2-(trifluoromethyl)purin-6-amine;N-cyclopropyl-9-[(2,6-difluorophenyl)methyl]-2-(trifluoromethyl)purin-6-amine;N-cyclopropyl-9-[(2-fluorophenyl)methyl]-2-(trifluoromethyl)purin-6-amine;N-cyclopropyl-9-[(4-fluorophenyl)methyl]-2-(trifluoromethyl)purin-6-amine;N-ethyl-9-[(2-fluorophenyl)methyl]-2-(trifluoromethyl)purin-6-amine is sourced from PubChem (CID 173227757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).