2-propan-2-ylpyrimidine-5-carbaldehyde

C8H10N2O — CID 3160974

IUPAC2-propan-2-ylpyrimidine-5-carbaldehyde
SMILESCC(C)c1ncc(C=O)cn1
InChIInChI=1S/C8H10N2O/c1-6(2)8-9-3-7(5-11)4-10-8/h3-6H,1-2H3
InChIKeyZXPVVKXNLOGLGN-UHFFFAOYSA-N
MW150.18 g/mol
LogP1.41
Rot. Bonds2

About 2-propan-2-ylpyrimidine-5-carbaldehyde

2-propan-2-ylpyrimidine-5-carbaldehyde (PubChem CID 3160974) has the molecular formula C8H10N2O and a molecular weight of 150.18 g/mol. Its IUPAC name is 2-propan-2-ylpyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name2-propan-2-ylpyrimidine-5-carbaldehyde
PubChem CID3160974
Molecular FormulaC8H10N2O
Molecular Weight150.18 g/mol
Exact Mass150.08
IUPAC Name2-propan-2-ylpyrimidine-5-carbaldehyde
SMILESCC(C)c1ncc(C=O)cn1
InChIInChI=1S/C8H10N2O/c1-6(2)8-9-3-7(5-11)4-10-8/h3-6H,1-2H3
InChIKeyZXPVVKXNLOGLGN-UHFFFAOYSA-N
XLogP1.41
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-propan-2-ylpyrimidine-5-carbaldehyde?
The IUPAC name of 2-propan-2-ylpyrimidine-5-carbaldehyde (CID 3160974) is 2-propan-2-ylpyrimidine-5-carbaldehyde.
What is the SMILES notation for 2-propan-2-ylpyrimidine-5-carbaldehyde?
The canonical SMILES for 2-propan-2-ylpyrimidine-5-carbaldehyde is CC(C)c1ncc(C=O)cn1.
What is the InChIKey of 2-propan-2-ylpyrimidine-5-carbaldehyde?
The InChIKey is ZXPVVKXNLOGLGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O/c1-6(2)8-9-3-7(5-11)4-10-8/h3-6H,1-2H3.
What are the key properties of 2-propan-2-ylpyrimidine-5-carbaldehyde?
2-propan-2-ylpyrimidine-5-carbaldehyde has a molecular weight of 150.18 g/mol, XLogP of 1.41, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-ylpyrimidine-5-carbaldehyde is sourced from PubChem (CID 3160974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).