5-amino-2-propan-2-ylpyrimidine-4-carbaldehyde

C8H11N3O — CID 84764914

IUPAC5-amino-2-propan-2-ylpyrimidine-4-carbaldehyde
SMILESCC(C)c1ncc(N)c(C=O)n1
InChIInChI=1S/C8H11N3O/c1-5(2)8-10-3-6(9)7(4-12)11-8/h3-5H,9H2,1-2H3
InChIKeySTPMYWQQZGVHMI-UHFFFAOYSA-N
MW165.20 g/mol
LogP0.99
Rot. Bonds2

About 5-amino-2-propan-2-ylpyrimidine-4-carbaldehyde

5-amino-2-propan-2-ylpyrimidine-4-carbaldehyde (PubChem CID 84764914) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is 5-amino-2-propan-2-ylpyrimidine-4-carbaldehyde.

Molecular Properties

Compound Name5-amino-2-propan-2-ylpyrimidine-4-carbaldehyde
PubChem CID84764914
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC Name5-amino-2-propan-2-ylpyrimidine-4-carbaldehyde
SMILESCC(C)c1ncc(N)c(C=O)n1
InChIInChI=1S/C8H11N3O/c1-5(2)8-10-3-6(9)7(4-12)11-8/h3-5H,9H2,1-2H3
InChIKeySTPMYWQQZGVHMI-UHFFFAOYSA-N
XLogP0.99
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 50.99
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 5-amino-2-propan-2-ylpyrimidine-4-carbaldehyde?
The IUPAC name of 5-amino-2-propan-2-ylpyrimidine-4-carbaldehyde (CID 84764914) is 5-amino-2-propan-2-ylpyrimidine-4-carbaldehyde.
What is the SMILES notation for 5-amino-2-propan-2-ylpyrimidine-4-carbaldehyde?
The canonical SMILES for 5-amino-2-propan-2-ylpyrimidine-4-carbaldehyde is CC(C)c1ncc(N)c(C=O)n1.
What is the InChIKey of 5-amino-2-propan-2-ylpyrimidine-4-carbaldehyde?
The InChIKey is STPMYWQQZGVHMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O/c1-5(2)8-10-3-6(9)7(4-12)11-8/h3-5H,9H2,1-2H3.
What are the key properties of 5-amino-2-propan-2-ylpyrimidine-4-carbaldehyde?
5-amino-2-propan-2-ylpyrimidine-4-carbaldehyde has a molecular weight of 165.20 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-propan-2-ylpyrimidine-4-carbaldehyde is sourced from PubChem (CID 84764914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).