4-ethoxy-6-(3-methoxypiperidin-1-yl)pyrimidin-5-amine

C12H20N4O2 — CID 102955709

IUPAC4-ethoxy-6-(3-methoxypiperidin-1-yl)pyrimidin-5-amine
SMILESCCOc1ncnc(N2CCCC(OC)C2)c1N
InChIInChI=1S/C12H20N4O2/c1-3-18-12-10(13)11(14-8-15-12)16-6-4-5-9(7-16)17-2/h8-9H,3-7,13H2,1-2H3
InChIKeyLVZQWQISOJTYIX-UHFFFAOYSA-N
MW252.32 g/mol
LogP1.07
Rot. Bonds4

About 4-ethoxy-6-(3-methoxypiperidin-1-yl)pyrimidin-5-amine

4-ethoxy-6-(3-methoxypiperidin-1-yl)pyrimidin-5-amine (PubChem CID 102955709) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 4-ethoxy-6-(3-methoxypiperidin-1-yl)pyrimidin-5-amine.

Molecular Properties

Compound Name4-ethoxy-6-(3-methoxypiperidin-1-yl)pyrimidin-5-amine
PubChem CID102955709
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name4-ethoxy-6-(3-methoxypiperidin-1-yl)pyrimidin-5-amine
SMILESCCOc1ncnc(N2CCCC(OC)C2)c1N
InChIInChI=1S/C12H20N4O2/c1-3-18-12-10(13)11(14-8-15-12)16-6-4-5-9(7-16)17-2/h8-9H,3-7,13H2,1-2H3
InChIKeyLVZQWQISOJTYIX-UHFFFAOYSA-N
XLogP1.07
TPSA73.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3-methoxypiperidin-1-yl)-6-propoxypyrimidin-5-amine
CID 102955766
4-methoxy-6-(3-methoxypyrrolidin-1-yl)pyrimidin-5-amine
CID 103530461
6-(3-methoxypiperidin-1-yl)-5-propylpyrimidin-4-amine
CID 102971615
5-chloro-6-(3-methoxypiperidin-1-yl)pyrimidin-4-amine
CID 106812000
4-chloro-6-(3-methoxypiperidin-1-yl)-5-methylpyrimidine
CID 102963245
4-chloro-6-(3-propoxypiperidin-1-yl)pyrimidin-5-amine
CID 63022907
ethyl 1-(5-amino-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidine-3-carboxylate
CID 19137273
4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-6-ethoxypyrimidin-5-amine
CID 82747186
4-cyclohexyloxy-6-pyrrolidin-1-ylpyrimidin-5-amine
CID 19137416
5-bromo-4-(3-methoxypiperidin-1-yl)pyrimidine
CID 103779967
5-methoxy-6-(3-methoxypiperidin-1-yl)-N-methylpyrimidin-4-amine
CID 102971606
6-(3-methoxypiperidin-1-yl)-5-propan-2-yl-N-propylpyrimidin-4-amine
CID 102971484

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-6-(3-methoxypiperidin-1-yl)pyrimidin-5-amine?
The IUPAC name of 4-ethoxy-6-(3-methoxypiperidin-1-yl)pyrimidin-5-amine (CID 102955709) is 4-ethoxy-6-(3-methoxypiperidin-1-yl)pyrimidin-5-amine.
What is the SMILES notation for 4-ethoxy-6-(3-methoxypiperidin-1-yl)pyrimidin-5-amine?
The canonical SMILES for 4-ethoxy-6-(3-methoxypiperidin-1-yl)pyrimidin-5-amine is CCOc1ncnc(N2CCCC(OC)C2)c1N.
What is the InChIKey of 4-ethoxy-6-(3-methoxypiperidin-1-yl)pyrimidin-5-amine?
The InChIKey is LVZQWQISOJTYIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-3-18-12-10(13)11(14-8-15-12)16-6-4-5-9(7-16)17-2/h8-9H,3-7,13H2,1-2H3.
What are the key properties of 4-ethoxy-6-(3-methoxypiperidin-1-yl)pyrimidin-5-amine?
4-ethoxy-6-(3-methoxypiperidin-1-yl)pyrimidin-5-amine has a molecular weight of 252.32 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-6-(3-methoxypiperidin-1-yl)pyrimidin-5-amine is sourced from PubChem (CID 102955709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).