2-propan-2-ylimidazo[1,2-a]pyrimidine-7-carbaldehyde

C10H11N3O — CID 169233269

IUPAC2-propan-2-ylimidazo[1,2-a]pyrimidine-7-carbaldehyde
SMILESCC(C)c1cn2ccc(C=O)nc2n1
InChIInChI=1S/C10H11N3O/c1-7(2)9-5-13-4-3-8(6-14)11-10(13)12-9/h3-7H,1-2H3
InChIKeyNDXDHDZSCBBBHJ-UHFFFAOYSA-N
MW189.22 g/mol
LogP1.67
Rot. Bonds2

About 2-propan-2-ylimidazo[1,2-a]pyrimidine-7-carbaldehyde

2-propan-2-ylimidazo[1,2-a]pyrimidine-7-carbaldehyde (PubChem CID 169233269) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is 2-propan-2-ylimidazo[1,2-a]pyrimidine-7-carbaldehyde.

Molecular Properties

Compound Name2-propan-2-ylimidazo[1,2-a]pyrimidine-7-carbaldehyde
PubChem CID169233269
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name2-propan-2-ylimidazo[1,2-a]pyrimidine-7-carbaldehyde
SMILESCC(C)c1cn2ccc(C=O)nc2n1
InChIInChI=1S/C10H11N3O/c1-7(2)9-5-13-4-3-8(6-14)11-10(13)12-9/h3-7H,1-2H3
InChIKeyNDXDHDZSCBBBHJ-UHFFFAOYSA-N
XLogP1.67
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 51.67
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 2-propan-2-ylimidazo[1,2-a]pyrimidine-7-carbaldehyde?
The IUPAC name of 2-propan-2-ylimidazo[1,2-a]pyrimidine-7-carbaldehyde (CID 169233269) is 2-propan-2-ylimidazo[1,2-a]pyrimidine-7-carbaldehyde.
What is the SMILES notation for 2-propan-2-ylimidazo[1,2-a]pyrimidine-7-carbaldehyde?
The canonical SMILES for 2-propan-2-ylimidazo[1,2-a]pyrimidine-7-carbaldehyde is CC(C)c1cn2ccc(C=O)nc2n1.
What is the InChIKey of 2-propan-2-ylimidazo[1,2-a]pyrimidine-7-carbaldehyde?
The InChIKey is NDXDHDZSCBBBHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c1-7(2)9-5-13-4-3-8(6-14)11-10(13)12-9/h3-7H,1-2H3.
What are the key properties of 2-propan-2-ylimidazo[1,2-a]pyrimidine-7-carbaldehyde?
2-propan-2-ylimidazo[1,2-a]pyrimidine-7-carbaldehyde has a molecular weight of 189.22 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-ylimidazo[1,2-a]pyrimidine-7-carbaldehyde is sourced from PubChem (CID 169233269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).