2-[1-(2,6-dimethoxypyrimidin-4-yl)piperidin-3-yl]ethanamine

C13H22N4O2 — CID 45219610

IUPAC2-[1-(2,6-dimethoxypyrimidin-4-yl)piperidin-3-yl]ethanamine
SMILESCOc1cc(N2CCCC(CCN)C2)nc(OC)n1
InChIInChI=1S/C13H22N4O2/c1-18-12-8-11(15-13(16-12)19-2)17-7-3-4-10(9-17)5-6-14/h8,10H,3-7,9,14H2,1-2H3
InChIKeyAUWFVXNLQUDNEB-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.06
Rot. Bonds5

About 2-[1-(2,6-dimethoxypyrimidin-4-yl)piperidin-3-yl]ethanamine

2-[1-(2,6-dimethoxypyrimidin-4-yl)piperidin-3-yl]ethanamine (PubChem CID 45219610) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-[1-(2,6-dimethoxypyrimidin-4-yl)piperidin-3-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(2,6-dimethoxypyrimidin-4-yl)piperidin-3-yl]ethanamine
PubChem CID45219610
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name2-[1-(2,6-dimethoxypyrimidin-4-yl)piperidin-3-yl]ethanamine
SMILESCOc1cc(N2CCCC(CCN)C2)nc(OC)n1
InChIInChI=1S/C13H22N4O2/c1-18-12-8-11(15-13(16-12)19-2)17-7-3-4-10(9-17)5-6-14/h8,10H,3-7,9,14H2,1-2H3
InChIKeyAUWFVXNLQUDNEB-UHFFFAOYSA-N
XLogP1.06
TPSA73.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,6-dimethoxypyrimidin-4-yl)piperidin-3-yl]ethanamine?
The IUPAC name of 2-[1-(2,6-dimethoxypyrimidin-4-yl)piperidin-3-yl]ethanamine (CID 45219610) is 2-[1-(2,6-dimethoxypyrimidin-4-yl)piperidin-3-yl]ethanamine.
What is the SMILES notation for 2-[1-(2,6-dimethoxypyrimidin-4-yl)piperidin-3-yl]ethanamine?
The canonical SMILES for 2-[1-(2,6-dimethoxypyrimidin-4-yl)piperidin-3-yl]ethanamine is COc1cc(N2CCCC(CCN)C2)nc(OC)n1.
What is the InChIKey of 2-[1-(2,6-dimethoxypyrimidin-4-yl)piperidin-3-yl]ethanamine?
The InChIKey is AUWFVXNLQUDNEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-18-12-8-11(15-13(16-12)19-2)17-7-3-4-10(9-17)5-6-14/h8,10H,3-7,9,14H2,1-2H3.
What are the key properties of 2-[1-(2,6-dimethoxypyrimidin-4-yl)piperidin-3-yl]ethanamine?
2-[1-(2,6-dimethoxypyrimidin-4-yl)piperidin-3-yl]ethanamine has a molecular weight of 266.34 g/mol, XLogP of 1.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,6-dimethoxypyrimidin-4-yl)piperidin-3-yl]ethanamine is sourced from PubChem (CID 45219610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).