[1-(6-ethoxy-5-methylpyrimidin-4-yl)piperidin-4-yl]methanamine

C13H22N4O — CID 66327389

IUPAC[1-(6-ethoxy-5-methylpyrimidin-4-yl)piperidin-4-yl]methanamine
SMILESCCOc1ncnc(N2CCC(CN)CC2)c1C
InChIInChI=1S/C13H22N4O/c1-3-18-13-10(2)12(15-9-16-13)17-6-4-11(8-14)5-7-17/h9,11H,3-8,14H2,1-2H3
InChIKeyQDVQSUHCMANGDT-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.36
Rot. Bonds4

About [1-(6-ethoxy-5-methylpyrimidin-4-yl)piperidin-4-yl]methanamine

[1-(6-ethoxy-5-methylpyrimidin-4-yl)piperidin-4-yl]methanamine (PubChem CID 66327389) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is [1-(6-ethoxy-5-methylpyrimidin-4-yl)piperidin-4-yl]methanamine.

Molecular Properties

Compound Name[1-(6-ethoxy-5-methylpyrimidin-4-yl)piperidin-4-yl]methanamine
PubChem CID66327389
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name[1-(6-ethoxy-5-methylpyrimidin-4-yl)piperidin-4-yl]methanamine
SMILESCCOc1ncnc(N2CCC(CN)CC2)c1C
InChIInChI=1S/C13H22N4O/c1-3-18-13-10(2)12(15-9-16-13)17-6-4-11(8-14)5-7-17/h9,11H,3-8,14H2,1-2H3
InChIKeyQDVQSUHCMANGDT-UHFFFAOYSA-N
XLogP1.36
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [1-(6-ethoxy-5-methylpyrimidin-4-yl)piperidin-4-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-(6-ethoxy-5-methylpyrimidin-4-yl)piperidin-4-yl]methanamine?
The IUPAC name of [1-(6-ethoxy-5-methylpyrimidin-4-yl)piperidin-4-yl]methanamine (CID 66327389) is [1-(6-ethoxy-5-methylpyrimidin-4-yl)piperidin-4-yl]methanamine.
What is the SMILES notation for [1-(6-ethoxy-5-methylpyrimidin-4-yl)piperidin-4-yl]methanamine?
The canonical SMILES for [1-(6-ethoxy-5-methylpyrimidin-4-yl)piperidin-4-yl]methanamine is CCOc1ncnc(N2CCC(CN)CC2)c1C.
What is the InChIKey of [1-(6-ethoxy-5-methylpyrimidin-4-yl)piperidin-4-yl]methanamine?
The InChIKey is QDVQSUHCMANGDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-3-18-13-10(2)12(15-9-16-13)17-6-4-11(8-14)5-7-17/h9,11H,3-8,14H2,1-2H3.
What are the key properties of [1-(6-ethoxy-5-methylpyrimidin-4-yl)piperidin-4-yl]methanamine?
[1-(6-ethoxy-5-methylpyrimidin-4-yl)piperidin-4-yl]methanamine has a molecular weight of 250.35 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-ethoxy-5-methylpyrimidin-4-yl)piperidin-4-yl]methanamine is sourced from PubChem (CID 66327389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).