3-(4,6-dimethoxypyrimidin-2-yl)oxypyridin-2-amine

C11H12N4O3 — CID 52934007

IUPAC3-(4,6-dimethoxypyrimidin-2-yl)oxypyridin-2-amine
SMILESCOc1cc(OC)nc(Oc2cccnc2N)n1
InChIInChI=1S/C11H12N4O3/c1-16-8-6-9(17-2)15-11(14-8)18-7-4-3-5-13-10(7)12/h3-6H,1-2H3,(H2,12,13)
InChIKeyVWKFWDSPYAVUFA-UHFFFAOYSA-N
MW248.24 g/mol
LogP1.26
Rot. Bonds4

About 3-(4,6-dimethoxypyrimidin-2-yl)oxypyridin-2-amine

3-(4,6-dimethoxypyrimidin-2-yl)oxypyridin-2-amine (PubChem CID 52934007) has the molecular formula C11H12N4O3 and a molecular weight of 248.24 g/mol. Its IUPAC name is 3-(4,6-dimethoxypyrimidin-2-yl)oxypyridin-2-amine.

Molecular Properties

Compound Name3-(4,6-dimethoxypyrimidin-2-yl)oxypyridin-2-amine
PubChem CID52934007
Molecular FormulaC11H12N4O3
Molecular Weight248.24 g/mol
Exact Mass248.09
IUPAC Name3-(4,6-dimethoxypyrimidin-2-yl)oxypyridin-2-amine
SMILESCOc1cc(OC)nc(Oc2cccnc2N)n1
InChIInChI=1S/C11H12N4O3/c1-16-8-6-9(17-2)15-11(14-8)18-7-4-3-5-13-10(7)12/h3-6H,1-2H3,(H2,12,13)
InChIKeyVWKFWDSPYAVUFA-UHFFFAOYSA-N
XLogP1.26
TPSA92.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(4,6-dimethoxypyrimidin-2-yl)oxypyridin-2-amine?
The IUPAC name of 3-(4,6-dimethoxypyrimidin-2-yl)oxypyridin-2-amine (CID 52934007) is 3-(4,6-dimethoxypyrimidin-2-yl)oxypyridin-2-amine.
What is the SMILES notation for 3-(4,6-dimethoxypyrimidin-2-yl)oxypyridin-2-amine?
The canonical SMILES for 3-(4,6-dimethoxypyrimidin-2-yl)oxypyridin-2-amine is COc1cc(OC)nc(Oc2cccnc2N)n1.
What is the InChIKey of 3-(4,6-dimethoxypyrimidin-2-yl)oxypyridin-2-amine?
The InChIKey is VWKFWDSPYAVUFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O3/c1-16-8-6-9(17-2)15-11(14-8)18-7-4-3-5-13-10(7)12/h3-6H,1-2H3,(H2,12,13).
What are the key properties of 3-(4,6-dimethoxypyrimidin-2-yl)oxypyridin-2-amine?
3-(4,6-dimethoxypyrimidin-2-yl)oxypyridin-2-amine has a molecular weight of 248.24 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,6-dimethoxypyrimidin-2-yl)oxypyridin-2-amine is sourced from PubChem (CID 52934007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).