2,4-dimethoxy-5-(7-pyrrolidin-1-ylimidazo[1,2-a]pyrimidin-2-yl)benzonitrile

C19H19N5O2 — CID 135335391

IUPAC2,4-dimethoxy-5-(7-pyrrolidin-1-ylimidazo[1,2-a]pyrimidin-2-yl)benzonitrile
SMILESCOc1cc(OC)c(-c2cn3ccc(N4CCCC4)nc3n2)cc1C#N
InChIInChI=1S/C19H19N5O2/c1-25-16-10-17(26-2)14(9-13(16)11-20)15-12-24-8-5-18(22-19(24)21-15)23-6-3-4-7-23/h5,8-10,12H,3-4,6-7H2,1-2H3
InChIKeyHDXFIUYVWKFLOM-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.89
Rot. Bonds4

About 2,4-dimethoxy-5-(7-pyrrolidin-1-ylimidazo[1,2-a]pyrimidin-2-yl)benzonitrile

2,4-dimethoxy-5-(7-pyrrolidin-1-ylimidazo[1,2-a]pyrimidin-2-yl)benzonitrile (PubChem CID 135335391) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is 2,4-dimethoxy-5-(7-pyrrolidin-1-ylimidazo[1,2-a]pyrimidin-2-yl)benzonitrile.

Molecular Properties

Compound Name2,4-dimethoxy-5-(7-pyrrolidin-1-ylimidazo[1,2-a]pyrimidin-2-yl)benzonitrile
PubChem CID135335391
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC Name2,4-dimethoxy-5-(7-pyrrolidin-1-ylimidazo[1,2-a]pyrimidin-2-yl)benzonitrile
SMILESCOc1cc(OC)c(-c2cn3ccc(N4CCCC4)nc3n2)cc1C#N
InChIInChI=1S/C19H19N5O2/c1-25-16-10-17(26-2)14(9-13(16)11-20)15-12-24-8-5-18(22-19(24)21-15)23-6-3-4-7-23/h5,8-10,12H,3-4,6-7H2,1-2H3
InChIKeyHDXFIUYVWKFLOM-UHFFFAOYSA-N
XLogP2.89
TPSA75.68 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-5-(7-pyrrolidin-1-ylimidazo[1,2-a]pyrimidin-2-yl)benzonitrile?
The IUPAC name of 2,4-dimethoxy-5-(7-pyrrolidin-1-ylimidazo[1,2-a]pyrimidin-2-yl)benzonitrile (CID 135335391) is 2,4-dimethoxy-5-(7-pyrrolidin-1-ylimidazo[1,2-a]pyrimidin-2-yl)benzonitrile.
What is the SMILES notation for 2,4-dimethoxy-5-(7-pyrrolidin-1-ylimidazo[1,2-a]pyrimidin-2-yl)benzonitrile?
The canonical SMILES for 2,4-dimethoxy-5-(7-pyrrolidin-1-ylimidazo[1,2-a]pyrimidin-2-yl)benzonitrile is COc1cc(OC)c(-c2cn3ccc(N4CCCC4)nc3n2)cc1C#N.
What is the InChIKey of 2,4-dimethoxy-5-(7-pyrrolidin-1-ylimidazo[1,2-a]pyrimidin-2-yl)benzonitrile?
The InChIKey is HDXFIUYVWKFLOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2/c1-25-16-10-17(26-2)14(9-13(16)11-20)15-12-24-8-5-18(22-19(24)21-15)23-6-3-4-7-23/h5,8-10,12H,3-4,6-7H2,1-2H3.
What are the key properties of 2,4-dimethoxy-5-(7-pyrrolidin-1-ylimidazo[1,2-a]pyrimidin-2-yl)benzonitrile?
2,4-dimethoxy-5-(7-pyrrolidin-1-ylimidazo[1,2-a]pyrimidin-2-yl)benzonitrile has a molecular weight of 349.39 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-5-(7-pyrrolidin-1-ylimidazo[1,2-a]pyrimidin-2-yl)benzonitrile is sourced from PubChem (CID 135335391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).