6-cyclopropylimidazo[1,2-a]pyrimidine-2-carbaldehyde

C10H9N3O — CID 55267259

IUPAC6-cyclopropylimidazo[1,2-a]pyrimidine-2-carbaldehyde
SMILESO=Cc1cn2cc(C3CC3)cnc2n1
InChIInChI=1S/C10H9N3O/c14-6-9-5-13-4-8(7-1-2-7)3-11-10(13)12-9/h3-7H,1-2H2
InChIKeyZWKYVJWYTDBHDW-UHFFFAOYSA-N
MW187.20 g/mol
LogP1.42
Rot. Bonds2

About 6-cyclopropylimidazo[1,2-a]pyrimidine-2-carbaldehyde

6-cyclopropylimidazo[1,2-a]pyrimidine-2-carbaldehyde (PubChem CID 55267259) has the molecular formula C10H9N3O and a molecular weight of 187.20 g/mol. Its IUPAC name is 6-cyclopropylimidazo[1,2-a]pyrimidine-2-carbaldehyde.

Molecular Properties

Compound Name6-cyclopropylimidazo[1,2-a]pyrimidine-2-carbaldehyde
PubChem CID55267259
Molecular FormulaC10H9N3O
Molecular Weight187.20 g/mol
Exact Mass187.07
IUPAC Name6-cyclopropylimidazo[1,2-a]pyrimidine-2-carbaldehyde
SMILESO=Cc1cn2cc(C3CC3)cnc2n1
InChIInChI=1S/C10H9N3O/c14-6-9-5-13-4-8(7-1-2-7)3-11-10(13)12-9/h3-7H,1-2H2
InChIKeyZWKYVJWYTDBHDW-UHFFFAOYSA-N
XLogP1.42
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropylimidazo[1,2-a]pyrimidine-2-carbaldehyde?
The IUPAC name of 6-cyclopropylimidazo[1,2-a]pyrimidine-2-carbaldehyde (CID 55267259) is 6-cyclopropylimidazo[1,2-a]pyrimidine-2-carbaldehyde.
What is the SMILES notation for 6-cyclopropylimidazo[1,2-a]pyrimidine-2-carbaldehyde?
The canonical SMILES for 6-cyclopropylimidazo[1,2-a]pyrimidine-2-carbaldehyde is O=Cc1cn2cc(C3CC3)cnc2n1.
What is the InChIKey of 6-cyclopropylimidazo[1,2-a]pyrimidine-2-carbaldehyde?
The InChIKey is ZWKYVJWYTDBHDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O/c14-6-9-5-13-4-8(7-1-2-7)3-11-10(13)12-9/h3-7H,1-2H2.
What are the key properties of 6-cyclopropylimidazo[1,2-a]pyrimidine-2-carbaldehyde?
6-cyclopropylimidazo[1,2-a]pyrimidine-2-carbaldehyde has a molecular weight of 187.20 g/mol, XLogP of 1.42, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropylimidazo[1,2-a]pyrimidine-2-carbaldehyde is sourced from PubChem (CID 55267259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).