5-(2-cyclopropylpyrimidin-4-yl)thiophene-2-carbaldehyde

C12H10N2OS — CID 122242400

IUPAC5-(2-cyclopropylpyrimidin-4-yl)thiophene-2-carbaldehyde
SMILESO=Cc1ccc(-c2ccnc(C3CC3)n2)s1
InChIInChI=1S/C12H10N2OS/c15-7-9-3-4-11(16-9)10-5-6-13-12(14-10)8-1-2-8/h3-8H,1-2H2
InChIKeyUVFWTHTZCAGSRR-UHFFFAOYSA-N
MW230.29 g/mol
LogP2.89
Rot. Bonds3

About 5-(2-cyclopropylpyrimidin-4-yl)thiophene-2-carbaldehyde

5-(2-cyclopropylpyrimidin-4-yl)thiophene-2-carbaldehyde (PubChem CID 122242400) has the molecular formula C12H10N2OS and a molecular weight of 230.29 g/mol. Its IUPAC name is 5-(2-cyclopropylpyrimidin-4-yl)thiophene-2-carbaldehyde.

Molecular Properties

Compound Name5-(2-cyclopropylpyrimidin-4-yl)thiophene-2-carbaldehyde
PubChem CID122242400
Molecular FormulaC12H10N2OS
Molecular Weight230.29 g/mol
Exact Mass230.05
IUPAC Name5-(2-cyclopropylpyrimidin-4-yl)thiophene-2-carbaldehyde
SMILESO=Cc1ccc(-c2ccnc(C3CC3)n2)s1
InChIInChI=1S/C12H10N2OS/c15-7-9-3-4-11(16-9)10-5-6-13-12(14-10)8-1-2-8/h3-8H,1-2H2
InChIKeyUVFWTHTZCAGSRR-UHFFFAOYSA-N
XLogP2.89
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 5-(2-cyclopropylpyrimidin-4-yl)thiophene-2-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclopropylpyrimidin-4-yl)thiophene-2-carbaldehyde?
The IUPAC name of 5-(2-cyclopropylpyrimidin-4-yl)thiophene-2-carbaldehyde (CID 122242400) is 5-(2-cyclopropylpyrimidin-4-yl)thiophene-2-carbaldehyde.
What is the SMILES notation for 5-(2-cyclopropylpyrimidin-4-yl)thiophene-2-carbaldehyde?
The canonical SMILES for 5-(2-cyclopropylpyrimidin-4-yl)thiophene-2-carbaldehyde is O=Cc1ccc(-c2ccnc(C3CC3)n2)s1.
What is the InChIKey of 5-(2-cyclopropylpyrimidin-4-yl)thiophene-2-carbaldehyde?
The InChIKey is UVFWTHTZCAGSRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2OS/c15-7-9-3-4-11(16-9)10-5-6-13-12(14-10)8-1-2-8/h3-8H,1-2H2.
What are the key properties of 5-(2-cyclopropylpyrimidin-4-yl)thiophene-2-carbaldehyde?
5-(2-cyclopropylpyrimidin-4-yl)thiophene-2-carbaldehyde has a molecular weight of 230.29 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyclopropylpyrimidin-4-yl)thiophene-2-carbaldehyde is sourced from PubChem (CID 122242400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).