5-methoxy-6-[3-(methoxymethyl)piperidin-1-yl]-N-methylpyrimidin-4-amine

C13H22N4O2 — CID 106590175

IUPAC5-methoxy-6-[3-(methoxymethyl)piperidin-1-yl]-N-methylpyrimidin-4-amine
SMILESCNc1ncnc(N2CCCC(COC)C2)c1OC
InChIInChI=1S/C13H22N4O2/c1-14-12-11(19-3)13(16-9-15-12)17-6-4-5-10(7-17)8-18-2/h9-10H,4-8H2,1-3H3,(H,14,15,16)
InChIKeyFKOSADRBFPJUMK-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.39
Rot. Bonds5

About 5-methoxy-6-[3-(methoxymethyl)piperidin-1-yl]-N-methylpyrimidin-4-amine

5-methoxy-6-[3-(methoxymethyl)piperidin-1-yl]-N-methylpyrimidin-4-amine (PubChem CID 106590175) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 5-methoxy-6-[3-(methoxymethyl)piperidin-1-yl]-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name5-methoxy-6-[3-(methoxymethyl)piperidin-1-yl]-N-methylpyrimidin-4-amine
PubChem CID106590175
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name5-methoxy-6-[3-(methoxymethyl)piperidin-1-yl]-N-methylpyrimidin-4-amine
SMILESCNc1ncnc(N2CCCC(COC)C2)c1OC
InChIInChI=1S/C13H22N4O2/c1-14-12-11(19-3)13(16-9-15-12)17-6-4-5-10(7-17)8-18-2/h9-10H,4-8H2,1-3H3,(H,14,15,16)
InChIKeyFKOSADRBFPJUMK-UHFFFAOYSA-N
XLogP1.39
TPSA59.51 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 ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-6-[3-(methoxymethyl)piperidin-1-yl]-N-methylpyrimidin-4-amine?
The IUPAC name of 5-methoxy-6-[3-(methoxymethyl)piperidin-1-yl]-N-methylpyrimidin-4-amine (CID 106590175) is 5-methoxy-6-[3-(methoxymethyl)piperidin-1-yl]-N-methylpyrimidin-4-amine.
What is the SMILES notation for 5-methoxy-6-[3-(methoxymethyl)piperidin-1-yl]-N-methylpyrimidin-4-amine?
The canonical SMILES for 5-methoxy-6-[3-(methoxymethyl)piperidin-1-yl]-N-methylpyrimidin-4-amine is CNc1ncnc(N2CCCC(COC)C2)c1OC.
What is the InChIKey of 5-methoxy-6-[3-(methoxymethyl)piperidin-1-yl]-N-methylpyrimidin-4-amine?
The InChIKey is FKOSADRBFPJUMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-14-12-11(19-3)13(16-9-15-12)17-6-4-5-10(7-17)8-18-2/h9-10H,4-8H2,1-3H3,(H,14,15,16).
What are the key properties of 5-methoxy-6-[3-(methoxymethyl)piperidin-1-yl]-N-methylpyrimidin-4-amine?
5-methoxy-6-[3-(methoxymethyl)piperidin-1-yl]-N-methylpyrimidin-4-amine has a molecular weight of 266.34 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-6-[3-(methoxymethyl)piperidin-1-yl]-N-methylpyrimidin-4-amine is sourced from PubChem (CID 106590175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).