5-(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine

C16H22N6 — CID 72838161

IUPAC5-(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCCc1cc(N2CCc3nc[nH]c3C2)nc(N2CCCC2)n1
InChIInChI=1S/C16H22N6/c1-2-12-9-15(20-16(19-12)21-6-3-4-7-21)22-8-5-13-14(10-22)18-11-17-13/h9,11H,2-8,10H2,1H3,(H,17,18)
InChIKeyDFJBKRRLFITYLR-UHFFFAOYSA-N
MW298.39 g/mol
LogP1.92
Rot. Bonds3

About 5-(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine

5-(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 72838161) has the molecular formula C16H22N6 and a molecular weight of 298.39 g/mol. Its IUPAC name is 5-(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name5-(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
PubChem CID72838161
Molecular FormulaC16H22N6
Molecular Weight298.39 g/mol
Exact Mass298.19
IUPAC Name5-(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCCc1cc(N2CCc3nc[nH]c3C2)nc(N2CCCC2)n1
InChIInChI=1S/C16H22N6/c1-2-12-9-15(20-16(19-12)21-6-3-4-7-21)22-8-5-13-14(10-22)18-11-17-13/h9,11H,2-8,10H2,1H3,(H,17,18)
InChIKeyDFJBKRRLFITYLR-UHFFFAOYSA-N
XLogP1.92
TPSA60.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The IUPAC name of 5-(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 72838161) is 5-(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for 5-(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The canonical SMILES for 5-(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine is CCc1cc(N2CCc3nc[nH]c3C2)nc(N2CCCC2)n1.
What is the InChIKey of 5-(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The InChIKey is DFJBKRRLFITYLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6/c1-2-12-9-15(20-16(19-12)21-6-3-4-7-21)22-8-5-13-14(10-22)18-11-17-13/h9,11H,2-8,10H2,1H3,(H,17,18).
What are the key properties of 5-(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
5-(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 298.39 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 72838161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).