6-ethyl-9-(3-methoxy-4-pyridinyl)-2-(trifluoromethyl)purine

C14H12F3N5O — CID 10064768

IUPAC6-ethyl-9-(3-methoxy-4-pyridinyl)-2-(trifluoromethyl)purine
SMILESCCc1nc(C(F)(F)F)nc2c1ncn2-c1ccncc1OC
InChIInChI=1S/C14H12F3N5O/c1-3-8-11-12(21-13(20-8)14(15,16)17)22(7-19-11)9-4-5-18-6-10(9)23-2/h4-7H,3H2,1-2H3
InChIKeySZJBIPIIBNKJOE-UHFFFAOYSA-N
MW323.28 g/mol
LogP2.80
Rot. Bonds3

About 6-ethyl-9-(3-methoxy-4-pyridinyl)-2-(trifluoromethyl)purine

6-ethyl-9-(3-methoxy-4-pyridinyl)-2-(trifluoromethyl)purine (PubChem CID 10064768) has the molecular formula C14H12F3N5O and a molecular weight of 323.28 g/mol. Its IUPAC name is 6-ethyl-9-(3-methoxy-4-pyridinyl)-2-(trifluoromethyl)purine.

Molecular Properties

Compound Name6-ethyl-9-(3-methoxy-4-pyridinyl)-2-(trifluoromethyl)purine
PubChem CID10064768
Molecular FormulaC14H12F3N5O
Molecular Weight323.28 g/mol
Exact Mass323.10
IUPAC Name6-ethyl-9-(3-methoxy-4-pyridinyl)-2-(trifluoromethyl)purine
SMILESCCc1nc(C(F)(F)F)nc2c1ncn2-c1ccncc1OC
InChIInChI=1S/C14H12F3N5O/c1-3-8-11-12(21-13(20-8)14(15,16)17)22(7-19-11)9-4-5-18-6-10(9)23-2/h4-7H,3H2,1-2H3
InChIKeySZJBIPIIBNKJOE-UHFFFAOYSA-N
XLogP2.80
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.28
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-ethyl-9-(3-methoxy-4-pyridinyl)-2-(trifluoromethyl)purine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-9-(3-methoxy-4-pyridinyl)-2-(trifluoromethyl)purine?
The IUPAC name of 6-ethyl-9-(3-methoxy-4-pyridinyl)-2-(trifluoromethyl)purine (CID 10064768) is 6-ethyl-9-(3-methoxy-4-pyridinyl)-2-(trifluoromethyl)purine.
What is the SMILES notation for 6-ethyl-9-(3-methoxy-4-pyridinyl)-2-(trifluoromethyl)purine?
The canonical SMILES for 6-ethyl-9-(3-methoxy-4-pyridinyl)-2-(trifluoromethyl)purine is CCc1nc(C(F)(F)F)nc2c1ncn2-c1ccncc1OC.
What is the InChIKey of 6-ethyl-9-(3-methoxy-4-pyridinyl)-2-(trifluoromethyl)purine?
The InChIKey is SZJBIPIIBNKJOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N5O/c1-3-8-11-12(21-13(20-8)14(15,16)17)22(7-19-11)9-4-5-18-6-10(9)23-2/h4-7H,3H2,1-2H3.
What are the key properties of 6-ethyl-9-(3-methoxy-4-pyridinyl)-2-(trifluoromethyl)purine?
6-ethyl-9-(3-methoxy-4-pyridinyl)-2-(trifluoromethyl)purine has a molecular weight of 323.28 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-9-(3-methoxy-4-pyridinyl)-2-(trifluoromethyl)purine is sourced from PubChem (CID 10064768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).