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

C76H72F19N25O2 — CID 173133714

IUPAC9-cyclopentyl-N-cyclopropyl-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-[(3,4-dimethoxyphenyl)methyl]-2-(trifluoromethyl)purin-6-amine;N-cyclopropyl-9-propyl-2-(trifluoromethyl)purin-6-amine
SMILESCCCn1cnc2c(NC3CC3)nc(C(F)(F)F)nc21.COc1ccc(Cn2cnc3c(NC4CC4)nc(C(F)(F)F)nc32)cc1OC.FC(F)(F)c1nc(NC2CC2)c2ncn(C3CCCC3)c2n1.Fc1cccc(Cn2cnc3c(NC4CC4)nc(C(F)(F)F)nc32)c1F.Fc1cccc(F)c1Cn1cnc2c(NC3CC3)nc(C(F)(F)F)nc21
InChIInChI=1S/C18H18F3N5O2.2C16H12F5N5.C14H16F3N5.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;17-10-2-1-3-11(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;15-14(16,17)13-20-11(19-8-5-6-8)10-12(21-13)22(7-18-10)9-3-1-2-4-9;1-2-5-20-6-16-8-9(17-7-3-4-7)18-11(12(13,14)15)19-10(8)20/h3,6-7,9,11H,4-5,8H2,1-2H3,(H,23,24,25);1-3,7-8H,4-6H2,(H,23,24,25);1-3,7,9H,4-6H2,(H,23,24,25);7-9H,1-6H2,(H,19,20,21);6-7H,2-5H2,1H3,(H,17,18,19)
InChIKeyDNEAIUUGHMAOJN-UHFFFAOYSA-N
MW1728.55 g/mol
LogP17.34
Rot. Bonds21

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

9-cyclopentyl-N-cyclopropyl-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-[(3,4-dimethoxyphenyl)methyl]-2-(trifluoromethyl)purin-6-amine;N-cyclopropyl-9-propyl-2-(trifluoromethyl)purin-6-amine (PubChem CID 173133714) has the molecular formula C76H72F19N25O2 and a molecular weight of 1728.55 g/mol. Its IUPAC name is 9-cyclopentyl-N-cyclopropyl-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-[(3,4-dimethoxyphenyl)methyl]-2-(trifluoromethyl)purin-6-amine;N-cyclopropyl-9-propyl-2-(trifluoromethyl)purin-6-amine.

Molecular Properties

Compound Name9-cyclopentyl-N-cyclopropyl-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-[(3,4-dimethoxyphenyl)methyl]-2-(trifluoromethyl)purin-6-amine;N-cyclopropyl-9-propyl-2-(trifluoromethyl)purin-6-amine
PubChem CID173133714
Molecular FormulaC76H72F19N25O2
Molecular Weight1728.55 g/mol
Exact Mass1727.60
IUPAC Name9-cyclopentyl-N-cyclopropyl-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-[(3,4-dimethoxyphenyl)methyl]-2-(trifluoromethyl)purin-6-amine;N-cyclopropyl-9-propyl-2-(trifluoromethyl)purin-6-amine
SMILESCCCn1cnc2c(NC3CC3)nc(C(F)(F)F)nc21.COc1ccc(Cn2cnc3c(NC4CC4)nc(C(F)(F)F)nc32)cc1OC.FC(F)(F)c1nc(NC2CC2)c2ncn(C3CCCC3)c2n1.Fc1cccc(Cn2cnc3c(NC4CC4)nc(C(F)(F)F)nc32)c1F.Fc1cccc(F)c1Cn1cnc2c(NC3CC3)nc(C(F)(F)F)nc21
InChIInChI=1S/C18H18F3N5O2.2C16H12F5N5.C14H16F3N5.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;17-10-2-1-3-11(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;15-14(16,17)13-20-11(19-8-5-6-8)10-12(21-13)22(7-18-10)9-3-1-2-4-9;1-2-5-20-6-16-8-9(17-7-3-4-7)18-11(12(13,14)15)19-10(8)20/h3,6-7,9,11H,4-5,8H2,1-2H3,(H,23,24,25);1-3,7-8H,4-6H2,(H,23,24,25);1-3,7,9H,4-6H2,(H,23,24,25);7-9H,1-6H2,(H,19,20,21);6-7H,2-5H2,1H3,(H,17,18,19)
InChIKeyDNEAIUUGHMAOJN-UHFFFAOYSA-N
XLogP17.34
TPSA296.61 Ų
H-Bond Donors5
H-Bond Acceptors27
Rotatable Bonds21
Heavy Atoms122
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001728.55
LogP ≤ 517.34
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1027

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

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Frequently Asked Questions

What is the IUPAC name of 9-cyclopentyl-N-cyclopropyl-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-[(3,4-dimethoxyphenyl)methyl]-2-(trifluoromethyl)purin-6-amine;N-cyclopropyl-9-propyl-2-(trifluoromethyl)purin-6-amine?
The IUPAC name of 9-cyclopentyl-N-cyclopropyl-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-[(3,4-dimethoxyphenyl)methyl]-2-(trifluoromethyl)purin-6-amine;N-cyclopropyl-9-propyl-2-(trifluoromethyl)purin-6-amine (CID 173133714) is 9-cyclopentyl-N-cyclopropyl-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-[(3,4-dimethoxyphenyl)methyl]-2-(trifluoromethyl)purin-6-amine;N-cyclopropyl-9-propyl-2-(trifluoromethyl)purin-6-amine.
What is the SMILES notation for 9-cyclopentyl-N-cyclopropyl-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-[(3,4-dimethoxyphenyl)methyl]-2-(trifluoromethyl)purin-6-amine;N-cyclopropyl-9-propyl-2-(trifluoromethyl)purin-6-amine?
The canonical SMILES for 9-cyclopentyl-N-cyclopropyl-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-[(3,4-dimethoxyphenyl)methyl]-2-(trifluoromethyl)purin-6-amine;N-cyclopropyl-9-propyl-2-(trifluoromethyl)purin-6-amine is CCCn1cnc2c(NC3CC3)nc(C(F)(F)F)nc21.COc1ccc(Cn2cnc3c(NC4CC4)nc(C(F)(F)F)nc32)cc1OC.FC(F)(F)c1nc(NC2CC2)c2ncn(C3CCCC3)c2n1.Fc1cccc(Cn2cnc3c(NC4CC4)nc(C(F)(F)F)nc32)c1F.Fc1cccc(F)c1Cn1cnc2c(NC3CC3)nc(C(F)(F)F)nc21.
What is the InChIKey of 9-cyclopentyl-N-cyclopropyl-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-[(3,4-dimethoxyphenyl)methyl]-2-(trifluoromethyl)purin-6-amine;N-cyclopropyl-9-propyl-2-(trifluoromethyl)purin-6-amine?
The InChIKey is DNEAIUUGHMAOJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N5O2.2C16H12F5N5.C14H16F3N5.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;17-10-2-1-3-11(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;15-14(16,17)13-20-11(19-8-5-6-8)10-12(21-13)22(7-18-10)9-3-1-2-4-9;1-2-5-20-6-16-8-9(17-7-3-4-7)18-11(12(13,14)15)19-10(8)20/h3,6-7,9,11H,4-5,8H2,1-2H3,(H,23,24,25);1-3,7-8H,4-6H2,(H,23,24,25);1-3,7,9H,4-6H2,(H,23,24,25);7-9H,1-6H2,(H,19,20,21);6-7H,2-5H2,1H3,(H,17,18,19).
What are the key properties of 9-cyclopentyl-N-cyclopropyl-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-[(3,4-dimethoxyphenyl)methyl]-2-(trifluoromethyl)purin-6-amine;N-cyclopropyl-9-propyl-2-(trifluoromethyl)purin-6-amine?
9-cyclopentyl-N-cyclopropyl-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-[(3,4-dimethoxyphenyl)methyl]-2-(trifluoromethyl)purin-6-amine;N-cyclopropyl-9-propyl-2-(trifluoromethyl)purin-6-amine has a molecular weight of 1728.55 g/mol, XLogP of 17.34, 21 rotatable bonds, 5 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclopentyl-N-cyclopropyl-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-[(3,4-dimethoxyphenyl)methyl]-2-(trifluoromethyl)purin-6-amine;N-cyclopropyl-9-propyl-2-(trifluoromethyl)purin-6-amine is sourced from PubChem (CID 173133714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).