N-cyclopropyl-9-(2,6-dimethoxy-4-pyridinyl)-2-(trifluoromethyl)purin-6-amine

C16H15F3N6O2 — CID 151858532

IUPACN-cyclopropyl-9-(2,6-dimethoxy-4-pyridinyl)-2-(trifluoromethyl)purin-6-amine
SMILESCOc1cc(-n2cnc3c(NC4CC4)nc(C(F)(F)F)nc32)cc(OC)n1
InChIInChI=1S/C16H15F3N6O2/c1-26-10-5-9(6-11(22-10)27-2)25-7-20-12-13(21-8-3-4-8)23-15(16(17,18)19)24-14(12)25/h5-8H,3-4H2,1-2H3,(H,21,23,24)
InChIKeySKFCTYZIDIQAHC-UHFFFAOYSA-N
MW380.33 g/mol
LogP2.82
Rot. Bonds5

About N-cyclopropyl-9-(2,6-dimethoxy-4-pyridinyl)-2-(trifluoromethyl)purin-6-amine

N-cyclopropyl-9-(2,6-dimethoxy-4-pyridinyl)-2-(trifluoromethyl)purin-6-amine (PubChem CID 151858532) has the molecular formula C16H15F3N6O2 and a molecular weight of 380.33 g/mol. Its IUPAC name is N-cyclopropyl-9-(2,6-dimethoxy-4-pyridinyl)-2-(trifluoromethyl)purin-6-amine.

Molecular Properties

Compound NameN-cyclopropyl-9-(2,6-dimethoxy-4-pyridinyl)-2-(trifluoromethyl)purin-6-amine
PubChem CID151858532
Molecular FormulaC16H15F3N6O2
Molecular Weight380.33 g/mol
Exact Mass380.12
IUPAC NameN-cyclopropyl-9-(2,6-dimethoxy-4-pyridinyl)-2-(trifluoromethyl)purin-6-amine
SMILESCOc1cc(-n2cnc3c(NC4CC4)nc(C(F)(F)F)nc32)cc(OC)n1
InChIInChI=1S/C16H15F3N6O2/c1-26-10-5-9(6-11(22-10)27-2)25-7-20-12-13(21-8-3-4-8)23-15(16(17,18)19)24-14(12)25/h5-8H,3-4H2,1-2H3,(H,21,23,24)
InChIKeySKFCTYZIDIQAHC-UHFFFAOYSA-N
XLogP2.82
TPSA86.98 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.33
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-9-(2,6-dimethoxy-4-pyridinyl)-2-(trifluoromethyl)purin-6-amine?
The IUPAC name of N-cyclopropyl-9-(2,6-dimethoxy-4-pyridinyl)-2-(trifluoromethyl)purin-6-amine (CID 151858532) is N-cyclopropyl-9-(2,6-dimethoxy-4-pyridinyl)-2-(trifluoromethyl)purin-6-amine.
What is the SMILES notation for N-cyclopropyl-9-(2,6-dimethoxy-4-pyridinyl)-2-(trifluoromethyl)purin-6-amine?
The canonical SMILES for N-cyclopropyl-9-(2,6-dimethoxy-4-pyridinyl)-2-(trifluoromethyl)purin-6-amine is COc1cc(-n2cnc3c(NC4CC4)nc(C(F)(F)F)nc32)cc(OC)n1.
What is the InChIKey of N-cyclopropyl-9-(2,6-dimethoxy-4-pyridinyl)-2-(trifluoromethyl)purin-6-amine?
The InChIKey is SKFCTYZIDIQAHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N6O2/c1-26-10-5-9(6-11(22-10)27-2)25-7-20-12-13(21-8-3-4-8)23-15(16(17,18)19)24-14(12)25/h5-8H,3-4H2,1-2H3,(H,21,23,24).
What are the key properties of N-cyclopropyl-9-(2,6-dimethoxy-4-pyridinyl)-2-(trifluoromethyl)purin-6-amine?
N-cyclopropyl-9-(2,6-dimethoxy-4-pyridinyl)-2-(trifluoromethyl)purin-6-amine has a molecular weight of 380.33 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-9-(2,6-dimethoxy-4-pyridinyl)-2-(trifluoromethyl)purin-6-amine is sourced from PubChem (CID 151858532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).