2-(2-aminopyrimidin-5-yl)benzaldehyde

C11H9N3O — CID 45036854

IUPAC2-(2-aminopyrimidin-5-yl)benzaldehyde
SMILESNc1ncc(-c2ccccc2C=O)cn1
InChIInChI=1S/C11H9N3O/c12-11-13-5-9(6-14-11)10-4-2-1-3-8(10)7-15/h1-7H,(H2,12,13,14)
InChIKeyYWJYEVPDHFSBMD-UHFFFAOYSA-N
MW199.21 g/mol
LogP1.54
Rot. Bonds2

About 2-(2-aminopyrimidin-5-yl)benzaldehyde

2-(2-aminopyrimidin-5-yl)benzaldehyde (PubChem CID 45036854) has the molecular formula C11H9N3O and a molecular weight of 199.21 g/mol. Its IUPAC name is 2-(2-aminopyrimidin-5-yl)benzaldehyde.

Molecular Properties

Compound Name2-(2-aminopyrimidin-5-yl)benzaldehyde
PubChem CID45036854
Molecular FormulaC11H9N3O
Molecular Weight199.21 g/mol
Exact Mass199.07
IUPAC Name2-(2-aminopyrimidin-5-yl)benzaldehyde
SMILESNc1ncc(-c2ccccc2C=O)cn1
InChIInChI=1S/C11H9N3O/c12-11-13-5-9(6-14-11)10-4-2-1-3-8(10)7-15/h1-7H,(H2,12,13,14)
InChIKeyYWJYEVPDHFSBMD-UHFFFAOYSA-N
XLogP1.54
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 51.54
H-Bond Donors ≤ 51
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-(2-aminopyrimidin-5-yl)benzaldehyde?
The IUPAC name of 2-(2-aminopyrimidin-5-yl)benzaldehyde (CID 45036854) is 2-(2-aminopyrimidin-5-yl)benzaldehyde.
What is the SMILES notation for 2-(2-aminopyrimidin-5-yl)benzaldehyde?
The canonical SMILES for 2-(2-aminopyrimidin-5-yl)benzaldehyde is Nc1ncc(-c2ccccc2C=O)cn1.
What is the InChIKey of 2-(2-aminopyrimidin-5-yl)benzaldehyde?
The InChIKey is YWJYEVPDHFSBMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O/c12-11-13-5-9(6-14-11)10-4-2-1-3-8(10)7-15/h1-7H,(H2,12,13,14).
What are the key properties of 2-(2-aminopyrimidin-5-yl)benzaldehyde?
2-(2-aminopyrimidin-5-yl)benzaldehyde has a molecular weight of 199.21 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopyrimidin-5-yl)benzaldehyde is sourced from PubChem (CID 45036854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).