2-fluoro-N-(3-methoxy-1-methylpyrazol-4-yl)-9-methylpurin-6-amine

C11H12FN7O — CID 118073546

IUPAC2-fluoro-N-(3-methoxy-1-methylpyrazol-4-yl)-9-methylpurin-6-amine
SMILESCOc1nn(C)cc1Nc1nc(F)nc2c1ncn2C
InChIInChI=1S/C11H12FN7O/c1-18-5-13-7-8(15-11(12)16-9(7)18)14-6-4-19(2)17-10(6)20-3/h4-5H,1-3H3,(H,14,15,16)
InChIKeyJCHDCLCBXATGTM-UHFFFAOYSA-N
MW277.26 g/mol
LogP0.99
Rot. Bonds3

About 2-fluoro-N-(3-methoxy-1-methylpyrazol-4-yl)-9-methylpurin-6-amine

2-fluoro-N-(3-methoxy-1-methylpyrazol-4-yl)-9-methylpurin-6-amine (PubChem CID 118073546) has the molecular formula C11H12FN7O and a molecular weight of 277.26 g/mol. Its IUPAC name is 2-fluoro-N-(3-methoxy-1-methylpyrazol-4-yl)-9-methylpurin-6-amine.

Molecular Properties

Compound Name2-fluoro-N-(3-methoxy-1-methylpyrazol-4-yl)-9-methylpurin-6-amine
PubChem CID118073546
Molecular FormulaC11H12FN7O
Molecular Weight277.26 g/mol
Exact Mass277.11
IUPAC Name2-fluoro-N-(3-methoxy-1-methylpyrazol-4-yl)-9-methylpurin-6-amine
SMILESCOc1nn(C)cc1Nc1nc(F)nc2c1ncn2C
InChIInChI=1S/C11H12FN7O/c1-18-5-13-7-8(15-11(12)16-9(7)18)14-6-4-19(2)17-10(6)20-3/h4-5H,1-3H3,(H,14,15,16)
InChIKeyJCHDCLCBXATGTM-UHFFFAOYSA-N
XLogP0.99
TPSA82.68 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.26
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(3-methoxy-1-methylpyrazol-4-yl)-9-methylpurin-6-amine?
The IUPAC name of 2-fluoro-N-(3-methoxy-1-methylpyrazol-4-yl)-9-methylpurin-6-amine (CID 118073546) is 2-fluoro-N-(3-methoxy-1-methylpyrazol-4-yl)-9-methylpurin-6-amine.
What is the SMILES notation for 2-fluoro-N-(3-methoxy-1-methylpyrazol-4-yl)-9-methylpurin-6-amine?
The canonical SMILES for 2-fluoro-N-(3-methoxy-1-methylpyrazol-4-yl)-9-methylpurin-6-amine is COc1nn(C)cc1Nc1nc(F)nc2c1ncn2C.
What is the InChIKey of 2-fluoro-N-(3-methoxy-1-methylpyrazol-4-yl)-9-methylpurin-6-amine?
The InChIKey is JCHDCLCBXATGTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN7O/c1-18-5-13-7-8(15-11(12)16-9(7)18)14-6-4-19(2)17-10(6)20-3/h4-5H,1-3H3,(H,14,15,16).
What are the key properties of 2-fluoro-N-(3-methoxy-1-methylpyrazol-4-yl)-9-methylpurin-6-amine?
2-fluoro-N-(3-methoxy-1-methylpyrazol-4-yl)-9-methylpurin-6-amine has a molecular weight of 277.26 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(3-methoxy-1-methylpyrazol-4-yl)-9-methylpurin-6-amine is sourced from PubChem (CID 118073546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).