3-[(2-methylpyrimidin-4-yl)methyl]imidazole-4-carbaldehyde

C10H10N4O — CID 66146380

IUPAC3-[(2-methylpyrimidin-4-yl)methyl]imidazole-4-carbaldehyde
SMILESCc1nccc(Cn2cncc2C=O)n1
InChIInChI=1S/C10H10N4O/c1-8-12-3-2-9(13-8)5-14-7-11-4-10(14)6-15/h2-4,6-7H,5H2,1H3
InChIKeyBHLVSDUKQGFOPP-UHFFFAOYSA-N
MW202.22 g/mol
LogP0.84
Rot. Bonds3

About 3-[(2-methylpyrimidin-4-yl)methyl]imidazole-4-carbaldehyde

3-[(2-methylpyrimidin-4-yl)methyl]imidazole-4-carbaldehyde (PubChem CID 66146380) has the molecular formula C10H10N4O and a molecular weight of 202.22 g/mol. Its IUPAC name is 3-[(2-methylpyrimidin-4-yl)methyl]imidazole-4-carbaldehyde.

Molecular Properties

Compound Name3-[(2-methylpyrimidin-4-yl)methyl]imidazole-4-carbaldehyde
PubChem CID66146380
Molecular FormulaC10H10N4O
Molecular Weight202.22 g/mol
Exact Mass202.09
IUPAC Name3-[(2-methylpyrimidin-4-yl)methyl]imidazole-4-carbaldehyde
SMILESCc1nccc(Cn2cncc2C=O)n1
InChIInChI=1S/C10H10N4O/c1-8-12-3-2-9(13-8)5-14-7-11-4-10(14)6-15/h2-4,6-7H,5H2,1H3
InChIKeyBHLVSDUKQGFOPP-UHFFFAOYSA-N
XLogP0.84
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.22
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylpyrimidin-4-yl)methyl]imidazole-4-carbaldehyde?
The IUPAC name of 3-[(2-methylpyrimidin-4-yl)methyl]imidazole-4-carbaldehyde (CID 66146380) is 3-[(2-methylpyrimidin-4-yl)methyl]imidazole-4-carbaldehyde.
What is the SMILES notation for 3-[(2-methylpyrimidin-4-yl)methyl]imidazole-4-carbaldehyde?
The canonical SMILES for 3-[(2-methylpyrimidin-4-yl)methyl]imidazole-4-carbaldehyde is Cc1nccc(Cn2cncc2C=O)n1.
What is the InChIKey of 3-[(2-methylpyrimidin-4-yl)methyl]imidazole-4-carbaldehyde?
The InChIKey is BHLVSDUKQGFOPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O/c1-8-12-3-2-9(13-8)5-14-7-11-4-10(14)6-15/h2-4,6-7H,5H2,1H3.
What are the key properties of 3-[(2-methylpyrimidin-4-yl)methyl]imidazole-4-carbaldehyde?
3-[(2-methylpyrimidin-4-yl)methyl]imidazole-4-carbaldehyde has a molecular weight of 202.22 g/mol, XLogP of 0.84, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylpyrimidin-4-yl)methyl]imidazole-4-carbaldehyde is sourced from PubChem (CID 66146380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).