2-(2,2-dimethylcyclopropyl)pyrimidine-5-carbaldehyde

C10H12N2O — CID 107924164

IUPAC2-(2,2-dimethylcyclopropyl)pyrimidine-5-carbaldehyde
SMILESCC1(C)CC1c1ncc(C=O)cn1
InChIInChI=1S/C10H12N2O/c1-10(2)3-8(10)9-11-4-7(6-13)5-12-9/h4-6,8H,3H2,1-2H3
InChIKeyYLIXUHVOLFEBCI-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.80
Rot. Bonds2

About 2-(2,2-dimethylcyclopropyl)pyrimidine-5-carbaldehyde

2-(2,2-dimethylcyclopropyl)pyrimidine-5-carbaldehyde (PubChem CID 107924164) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 2-(2,2-dimethylcyclopropyl)pyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name2-(2,2-dimethylcyclopropyl)pyrimidine-5-carbaldehyde
PubChem CID107924164
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name2-(2,2-dimethylcyclopropyl)pyrimidine-5-carbaldehyde
SMILESCC1(C)CC1c1ncc(C=O)cn1
InChIInChI=1S/C10H12N2O/c1-10(2)3-8(10)9-11-4-7(6-13)5-12-9/h4-6,8H,3H2,1-2H3
InChIKeyYLIXUHVOLFEBCI-UHFFFAOYSA-N
XLogP1.80
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.80
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-(2,2-dimethylcyclopropyl)pyrimidine-5-carbaldehyde?
The IUPAC name of 2-(2,2-dimethylcyclopropyl)pyrimidine-5-carbaldehyde (CID 107924164) is 2-(2,2-dimethylcyclopropyl)pyrimidine-5-carbaldehyde.
What is the SMILES notation for 2-(2,2-dimethylcyclopropyl)pyrimidine-5-carbaldehyde?
The canonical SMILES for 2-(2,2-dimethylcyclopropyl)pyrimidine-5-carbaldehyde is CC1(C)CC1c1ncc(C=O)cn1.
What is the InChIKey of 2-(2,2-dimethylcyclopropyl)pyrimidine-5-carbaldehyde?
The InChIKey is YLIXUHVOLFEBCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c1-10(2)3-8(10)9-11-4-7(6-13)5-12-9/h4-6,8H,3H2,1-2H3.
What are the key properties of 2-(2,2-dimethylcyclopropyl)pyrimidine-5-carbaldehyde?
2-(2,2-dimethylcyclopropyl)pyrimidine-5-carbaldehyde has a molecular weight of 176.22 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylcyclopropyl)pyrimidine-5-carbaldehyde is sourced from PubChem (CID 107924164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).