5-(6-ethyl-2-methylpyrimidin-4-yl)-2-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine

C19H21N5 — CID 72937037

IUPAC5-(6-ethyl-2-methylpyrimidin-4-yl)-2-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCCc1cc(N2CCc3nc(-c4ccccc4)[nH]c3C2)nc(C)n1
InChIInChI=1S/C19H21N5/c1-3-15-11-18(21-13(2)20-15)24-10-9-16-17(12-24)23-19(22-16)14-7-5-4-6-8-14/h4-8,11H,3,9-10,12H2,1-2H3,(H,22,23)
InChIKeyBPQCFCGIRXJTGG-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.30
Rot. Bonds3

About 5-(6-ethyl-2-methylpyrimidin-4-yl)-2-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine

5-(6-ethyl-2-methylpyrimidin-4-yl)-2-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 72937037) has the molecular formula C19H21N5 and a molecular weight of 319.41 g/mol. Its IUPAC name is 5-(6-ethyl-2-methylpyrimidin-4-yl)-2-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name5-(6-ethyl-2-methylpyrimidin-4-yl)-2-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
PubChem CID72937037
Molecular FormulaC19H21N5
Molecular Weight319.41 g/mol
Exact Mass319.18
IUPAC Name5-(6-ethyl-2-methylpyrimidin-4-yl)-2-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCCc1cc(N2CCc3nc(-c4ccccc4)[nH]c3C2)nc(C)n1
InChIInChI=1S/C19H21N5/c1-3-15-11-18(21-13(2)20-15)24-10-9-16-17(12-24)23-19(22-16)14-7-5-4-6-8-14/h4-8,11H,3,9-10,12H2,1-2H3,(H,22,23)
InChIKeyBPQCFCGIRXJTGG-UHFFFAOYSA-N
XLogP3.30
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(6-ethyl-2-methylpyrimidin-4-yl)-2-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The IUPAC name of 5-(6-ethyl-2-methylpyrimidin-4-yl)-2-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 72937037) is 5-(6-ethyl-2-methylpyrimidin-4-yl)-2-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for 5-(6-ethyl-2-methylpyrimidin-4-yl)-2-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The canonical SMILES for 5-(6-ethyl-2-methylpyrimidin-4-yl)-2-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine is CCc1cc(N2CCc3nc(-c4ccccc4)[nH]c3C2)nc(C)n1.
What is the InChIKey of 5-(6-ethyl-2-methylpyrimidin-4-yl)-2-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The InChIKey is BPQCFCGIRXJTGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5/c1-3-15-11-18(21-13(2)20-15)24-10-9-16-17(12-24)23-19(22-16)14-7-5-4-6-8-14/h4-8,11H,3,9-10,12H2,1-2H3,(H,22,23).
What are the key properties of 5-(6-ethyl-2-methylpyrimidin-4-yl)-2-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
5-(6-ethyl-2-methylpyrimidin-4-yl)-2-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 319.41 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-ethyl-2-methylpyrimidin-4-yl)-2-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 72937037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).