2-cyclopropyl-5-hydroxypyrimidine-4-carbaldehyde

C8H8N2O2 — CID 83815802

IUPAC2-cyclopropyl-5-hydroxypyrimidine-4-carbaldehyde
SMILESO=Cc1nc(C2CC2)ncc1O
InChIInChI=1S/C8H8N2O2/c11-4-6-7(12)3-9-8(10-6)5-1-2-5/h3-5,12H,1-2H2
InChIKeyWMMLGWYQHQDRAT-UHFFFAOYSA-N
MW164.16 g/mol
LogP0.87
Rot. Bonds2

About 2-cyclopropyl-5-hydroxypyrimidine-4-carbaldehyde

2-cyclopropyl-5-hydroxypyrimidine-4-carbaldehyde (PubChem CID 83815802) has the molecular formula C8H8N2O2 and a molecular weight of 164.16 g/mol. Its IUPAC name is 2-cyclopropyl-5-hydroxypyrimidine-4-carbaldehyde.

Molecular Properties

Compound Name2-cyclopropyl-5-hydroxypyrimidine-4-carbaldehyde
PubChem CID83815802
Molecular FormulaC8H8N2O2
Molecular Weight164.16 g/mol
Exact Mass164.06
IUPAC Name2-cyclopropyl-5-hydroxypyrimidine-4-carbaldehyde
SMILESO=Cc1nc(C2CC2)ncc1O
InChIInChI=1S/C8H8N2O2/c11-4-6-7(12)3-9-8(10-6)5-1-2-5/h3-5,12H,1-2H2
InChIKeyWMMLGWYQHQDRAT-UHFFFAOYSA-N
XLogP0.87
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-cyclopropyl-5-hydroxypyrimidine-4-carbaldehyde with MolForge

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

Launch Full Analysis

Related Compounds

2-cyclopropyl-4-pyrrolidin-1-ylpyrimidin-5-ol
CID 91812214
2-cyclopropyl-4-piperidin-1-ylpyrimidin-5-ol
CID 91812215
4-(3-aminopropyl)-2-cyclopropylpyrimidin-5-ol
CID 83878403
2-cyclopentylpyrimidine-5-carbaldehyde
CID 58228458
2-(5-bromo-2-cyclopropylpyrimidin-4-yl)acetaldehyde
CID 83899067
2-cyclopropyl-4-methylpyrimidine;formic acid
CID 165132311
6-cyclopropyl-1,3,5-triazine-2,4-dicarbaldehyde
CID 174762144
4-(3-aminopropyl)-2-cyclopentylpyrimidin-5-ol
CID 83890095
2-(2-cyclopropyl-4-methoxypyrimidin-5-yl)acetaldehyde
CID 83878019
2-cyclopentylpyrimidin-5-ol
CID 20542594
4-(2-aminopropyl)-2-cyclopentylpyrimidin-5-ol
CID 83890097
1-(2-cyclopropyl-4-methylpyrimidin-5-yl)-N-methylmethanimine
CID 145225556

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-hydroxypyrimidine-4-carbaldehyde?
The IUPAC name of 2-cyclopropyl-5-hydroxypyrimidine-4-carbaldehyde (CID 83815802) is 2-cyclopropyl-5-hydroxypyrimidine-4-carbaldehyde.
What is the SMILES notation for 2-cyclopropyl-5-hydroxypyrimidine-4-carbaldehyde?
The canonical SMILES for 2-cyclopropyl-5-hydroxypyrimidine-4-carbaldehyde is O=Cc1nc(C2CC2)ncc1O.
What is the InChIKey of 2-cyclopropyl-5-hydroxypyrimidine-4-carbaldehyde?
The InChIKey is WMMLGWYQHQDRAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O2/c11-4-6-7(12)3-9-8(10-6)5-1-2-5/h3-5,12H,1-2H2.
What are the key properties of 2-cyclopropyl-5-hydroxypyrimidine-4-carbaldehyde?
2-cyclopropyl-5-hydroxypyrimidine-4-carbaldehyde has a molecular weight of 164.16 g/mol, XLogP of 0.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-hydroxypyrimidine-4-carbaldehyde is sourced from PubChem (CID 83815802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).