5-(6-ethoxypyrimidin-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine

C12H15N5O — CID 122154363

IUPAC5-(6-ethoxypyrimidin-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCCOc1cc(N2CCc3nc[nH]c3C2)ncn1
InChIInChI=1S/C12H15N5O/c1-2-18-12-5-11(15-8-16-12)17-4-3-9-10(6-17)14-7-13-9/h5,7-8H,2-4,6H2,1H3,(H,13,14)
InChIKeyWIAOIXUYLIZGSF-UHFFFAOYSA-N
MW245.29 g/mol
LogP1.16
Rot. Bonds3

About 5-(6-ethoxypyrimidin-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine

5-(6-ethoxypyrimidin-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 122154363) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is 5-(6-ethoxypyrimidin-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name5-(6-ethoxypyrimidin-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
PubChem CID122154363
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name5-(6-ethoxypyrimidin-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCCOc1cc(N2CCc3nc[nH]c3C2)ncn1
InChIInChI=1S/C12H15N5O/c1-2-18-12-5-11(15-8-16-12)17-4-3-9-10(6-17)14-7-13-9/h5,7-8H,2-4,6H2,1H3,(H,13,14)
InChIKeyWIAOIXUYLIZGSF-UHFFFAOYSA-N
XLogP1.16
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(6-ethoxypyrimidin-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The IUPAC name of 5-(6-ethoxypyrimidin-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 122154363) is 5-(6-ethoxypyrimidin-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for 5-(6-ethoxypyrimidin-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The canonical SMILES for 5-(6-ethoxypyrimidin-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine is CCOc1cc(N2CCc3nc[nH]c3C2)ncn1.
What is the InChIKey of 5-(6-ethoxypyrimidin-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The InChIKey is WIAOIXUYLIZGSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c1-2-18-12-5-11(15-8-16-12)17-4-3-9-10(6-17)14-7-13-9/h5,7-8H,2-4,6H2,1H3,(H,13,14).
What are the key properties of 5-(6-ethoxypyrimidin-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
5-(6-ethoxypyrimidin-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 245.29 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-ethoxypyrimidin-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 122154363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).