2-(2-methylcyclopropyl)pyrimidine-5-carbaldehyde

C9H10N2O — CID 65421101

IUPAC2-(2-methylcyclopropyl)pyrimidine-5-carbaldehyde
SMILESCC1CC1c1ncc(C=O)cn1
InChIInChI=1S/C9H10N2O/c1-6-2-8(6)9-10-3-7(5-12)4-11-9/h3-6,8H,2H2,1H3
InChIKeyLUBYNBYSLBPEMO-UHFFFAOYSA-N
MW162.19 g/mol
LogP1.41
Rot. Bonds2

About 2-(2-methylcyclopropyl)pyrimidine-5-carbaldehyde

2-(2-methylcyclopropyl)pyrimidine-5-carbaldehyde (PubChem CID 65421101) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is 2-(2-methylcyclopropyl)pyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name2-(2-methylcyclopropyl)pyrimidine-5-carbaldehyde
PubChem CID65421101
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC Name2-(2-methylcyclopropyl)pyrimidine-5-carbaldehyde
SMILESCC1CC1c1ncc(C=O)cn1
InChIInChI=1S/C9H10N2O/c1-6-2-8(6)9-10-3-7(5-12)4-11-9/h3-6,8H,2H2,1H3
InChIKeyLUBYNBYSLBPEMO-UHFFFAOYSA-N
XLogP1.41
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(2-methylcyclopropyl)pyrimidine-5-carbaldehyde?
The IUPAC name of 2-(2-methylcyclopropyl)pyrimidine-5-carbaldehyde (CID 65421101) is 2-(2-methylcyclopropyl)pyrimidine-5-carbaldehyde.
What is the SMILES notation for 2-(2-methylcyclopropyl)pyrimidine-5-carbaldehyde?
The canonical SMILES for 2-(2-methylcyclopropyl)pyrimidine-5-carbaldehyde is CC1CC1c1ncc(C=O)cn1.
What is the InChIKey of 2-(2-methylcyclopropyl)pyrimidine-5-carbaldehyde?
The InChIKey is LUBYNBYSLBPEMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O/c1-6-2-8(6)9-10-3-7(5-12)4-11-9/h3-6,8H,2H2,1H3.
What are the key properties of 2-(2-methylcyclopropyl)pyrimidine-5-carbaldehyde?
2-(2-methylcyclopropyl)pyrimidine-5-carbaldehyde has a molecular weight of 162.19 g/mol, XLogP of 1.41, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylcyclopropyl)pyrimidine-5-carbaldehyde is sourced from PubChem (CID 65421101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).