2-(dimethylamino)pyrimidine-5-carbaldehyde

C7H9N3O — CID 795544

IUPAC2-(dimethylamino)pyrimidine-5-carbaldehyde
SMILESCN(C)c1ncc(C=O)cn1
InChIInChI=1S/C7H9N3O/c1-10(2)7-8-3-6(5-11)4-9-7/h3-5H,1-2H3
InChIKeyXBYXYDVSCMMJDT-UHFFFAOYSA-N
MW151.17 g/mol
LogP0.36
Rot. Bonds2

About 2-(dimethylamino)pyrimidine-5-carbaldehyde

2-(dimethylamino)pyrimidine-5-carbaldehyde (PubChem CID 795544) has the molecular formula C7H9N3O and a molecular weight of 151.17 g/mol. Its IUPAC name is 2-(dimethylamino)pyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name2-(dimethylamino)pyrimidine-5-carbaldehyde
PubChem CID795544
Molecular FormulaC7H9N3O
Molecular Weight151.17 g/mol
Exact Mass151.07
IUPAC Name2-(dimethylamino)pyrimidine-5-carbaldehyde
SMILESCN(C)c1ncc(C=O)cn1
InChIInChI=1S/C7H9N3O/c1-10(2)7-8-3-6(5-11)4-9-7/h3-5H,1-2H3
InChIKeyXBYXYDVSCMMJDT-UHFFFAOYSA-N
XLogP0.36
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.17
LogP ≤ 50.36
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-(dimethylamino)pyrimidine-5-carbaldehyde?
The IUPAC name of 2-(dimethylamino)pyrimidine-5-carbaldehyde (CID 795544) is 2-(dimethylamino)pyrimidine-5-carbaldehyde.
What is the SMILES notation for 2-(dimethylamino)pyrimidine-5-carbaldehyde?
The canonical SMILES for 2-(dimethylamino)pyrimidine-5-carbaldehyde is CN(C)c1ncc(C=O)cn1.
What is the InChIKey of 2-(dimethylamino)pyrimidine-5-carbaldehyde?
The InChIKey is XBYXYDVSCMMJDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O/c1-10(2)7-8-3-6(5-11)4-9-7/h3-5H,1-2H3.
What are the key properties of 2-(dimethylamino)pyrimidine-5-carbaldehyde?
2-(dimethylamino)pyrimidine-5-carbaldehyde has a molecular weight of 151.17 g/mol, XLogP of 0.36, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)pyrimidine-5-carbaldehyde is sourced from PubChem (CID 795544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).