2-[4-(2-ethoxy-3-pyridinyl)-5-methylpyrimidin-2-yl]ethanamine

C14H18N4O — CID 155225755

IUPAC2-[4-(2-ethoxy-3-pyridinyl)-5-methylpyrimidin-2-yl]ethanamine
SMILESCCOc1ncccc1-c1nc(CCN)ncc1C
InChIInChI=1S/C14H18N4O/c1-3-19-14-11(5-4-8-16-14)13-10(2)9-17-12(18-13)6-7-15/h4-5,8-9H,3,6-7,15H2,1-2H3
InChIKeyWWTUYTFVTQTOAE-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.75
Rot. Bonds5

About 2-[4-(2-ethoxy-3-pyridinyl)-5-methylpyrimidin-2-yl]ethanamine

2-[4-(2-ethoxy-3-pyridinyl)-5-methylpyrimidin-2-yl]ethanamine (PubChem CID 155225755) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-[4-(2-ethoxy-3-pyridinyl)-5-methylpyrimidin-2-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(2-ethoxy-3-pyridinyl)-5-methylpyrimidin-2-yl]ethanamine
PubChem CID155225755
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name2-[4-(2-ethoxy-3-pyridinyl)-5-methylpyrimidin-2-yl]ethanamine
SMILESCCOc1ncccc1-c1nc(CCN)ncc1C
InChIInChI=1S/C14H18N4O/c1-3-19-14-11(5-4-8-16-14)13-10(2)9-17-12(18-13)6-7-15/h4-5,8-9H,3,6-7,15H2,1-2H3
InChIKeyWWTUYTFVTQTOAE-UHFFFAOYSA-N
XLogP1.75
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-ethoxy-3-pyridinyl)-5-methylpyrimidin-2-yl]ethanamine?
The IUPAC name of 2-[4-(2-ethoxy-3-pyridinyl)-5-methylpyrimidin-2-yl]ethanamine (CID 155225755) is 2-[4-(2-ethoxy-3-pyridinyl)-5-methylpyrimidin-2-yl]ethanamine.
What is the SMILES notation for 2-[4-(2-ethoxy-3-pyridinyl)-5-methylpyrimidin-2-yl]ethanamine?
The canonical SMILES for 2-[4-(2-ethoxy-3-pyridinyl)-5-methylpyrimidin-2-yl]ethanamine is CCOc1ncccc1-c1nc(CCN)ncc1C.
What is the InChIKey of 2-[4-(2-ethoxy-3-pyridinyl)-5-methylpyrimidin-2-yl]ethanamine?
The InChIKey is WWTUYTFVTQTOAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-3-19-14-11(5-4-8-16-14)13-10(2)9-17-12(18-13)6-7-15/h4-5,8-9H,3,6-7,15H2,1-2H3.
What are the key properties of 2-[4-(2-ethoxy-3-pyridinyl)-5-methylpyrimidin-2-yl]ethanamine?
2-[4-(2-ethoxy-3-pyridinyl)-5-methylpyrimidin-2-yl]ethanamine has a molecular weight of 258.32 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-ethoxy-3-pyridinyl)-5-methylpyrimidin-2-yl]ethanamine is sourced from PubChem (CID 155225755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).