1-methyl-5,6-dihydro-4H-pyrimidine-2-carbaldehyde

C6H10N2O — CID 141175183

IUPAC1-methyl-5,6-dihydro-4H-pyrimidine-2-carbaldehyde
SMILESCN1CCCN=C1C=O
InChIInChI=1S/C6H10N2O/c1-8-4-2-3-7-6(8)5-9/h5H,2-4H2,1H3
InChIKeyFKTCAXPAUWHMIW-UHFFFAOYSA-N
MW126.16 g/mol
LogP-0.08
Rot. Bonds1

About 1-methyl-5,6-dihydro-4H-pyrimidine-2-carbaldehyde

1-methyl-5,6-dihydro-4H-pyrimidine-2-carbaldehyde (PubChem CID 141175183) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is 1-methyl-5,6-dihydro-4H-pyrimidine-2-carbaldehyde.

Molecular Properties

Compound Name1-methyl-5,6-dihydro-4H-pyrimidine-2-carbaldehyde
PubChem CID141175183
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Name1-methyl-5,6-dihydro-4H-pyrimidine-2-carbaldehyde
SMILESCN1CCCN=C1C=O
InChIInChI=1S/C6H10N2O/c1-8-4-2-3-7-6(8)5-9/h5H,2-4H2,1H3
InChIKeyFKTCAXPAUWHMIW-UHFFFAOYSA-N
XLogP-0.08
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 5-0.08
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 1-methyl-5,6-dihydro-4H-pyrimidine-2-carbaldehyde?
The IUPAC name of 1-methyl-5,6-dihydro-4H-pyrimidine-2-carbaldehyde (CID 141175183) is 1-methyl-5,6-dihydro-4H-pyrimidine-2-carbaldehyde.
What is the SMILES notation for 1-methyl-5,6-dihydro-4H-pyrimidine-2-carbaldehyde?
The canonical SMILES for 1-methyl-5,6-dihydro-4H-pyrimidine-2-carbaldehyde is CN1CCCN=C1C=O.
What is the InChIKey of 1-methyl-5,6-dihydro-4H-pyrimidine-2-carbaldehyde?
The InChIKey is FKTCAXPAUWHMIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O/c1-8-4-2-3-7-6(8)5-9/h5H,2-4H2,1H3.
What are the key properties of 1-methyl-5,6-dihydro-4H-pyrimidine-2-carbaldehyde?
1-methyl-5,6-dihydro-4H-pyrimidine-2-carbaldehyde has a molecular weight of 126.16 g/mol, XLogP of -0.08, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5,6-dihydro-4H-pyrimidine-2-carbaldehyde is sourced from PubChem (CID 141175183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).