2-(3,6-dihydro-2H-pyran-4-yl)-6-methylpyrimidine-4-carbaldehyde

C11H12N2O2 — CID 170328502

IUPAC2-(3,6-dihydro-2H-pyran-4-yl)-6-methylpyrimidine-4-carbaldehyde
SMILESCc1cc(C=O)nc(C2=CCOCC2)n1
InChIInChI=1S/C11H12N2O2/c1-8-6-10(7-14)13-11(12-8)9-2-4-15-5-3-9/h2,6-7H,3-5H2,1H3
InChIKeyBIPYLMSLSBJRKB-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.40
Rot. Bonds2

About 2-(3,6-dihydro-2H-pyran-4-yl)-6-methylpyrimidine-4-carbaldehyde

2-(3,6-dihydro-2H-pyran-4-yl)-6-methylpyrimidine-4-carbaldehyde (PubChem CID 170328502) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 2-(3,6-dihydro-2H-pyran-4-yl)-6-methylpyrimidine-4-carbaldehyde.

Molecular Properties

Compound Name2-(3,6-dihydro-2H-pyran-4-yl)-6-methylpyrimidine-4-carbaldehyde
PubChem CID170328502
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name2-(3,6-dihydro-2H-pyran-4-yl)-6-methylpyrimidine-4-carbaldehyde
SMILESCc1cc(C=O)nc(C2=CCOCC2)n1
InChIInChI=1S/C11H12N2O2/c1-8-6-10(7-14)13-11(12-8)9-2-4-15-5-3-9/h2,6-7H,3-5H2,1H3
InChIKeyBIPYLMSLSBJRKB-UHFFFAOYSA-N
XLogP1.40
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.40
H-Bond Donors ≤ 50
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 2-(3,6-dihydro-2H-pyran-4-yl)-6-methylpyrimidine-4-carbaldehyde?
The IUPAC name of 2-(3,6-dihydro-2H-pyran-4-yl)-6-methylpyrimidine-4-carbaldehyde (CID 170328502) is 2-(3,6-dihydro-2H-pyran-4-yl)-6-methylpyrimidine-4-carbaldehyde.
What is the SMILES notation for 2-(3,6-dihydro-2H-pyran-4-yl)-6-methylpyrimidine-4-carbaldehyde?
The canonical SMILES for 2-(3,6-dihydro-2H-pyran-4-yl)-6-methylpyrimidine-4-carbaldehyde is Cc1cc(C=O)nc(C2=CCOCC2)n1.
What is the InChIKey of 2-(3,6-dihydro-2H-pyran-4-yl)-6-methylpyrimidine-4-carbaldehyde?
The InChIKey is BIPYLMSLSBJRKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-8-6-10(7-14)13-11(12-8)9-2-4-15-5-3-9/h2,6-7H,3-5H2,1H3.
What are the key properties of 2-(3,6-dihydro-2H-pyran-4-yl)-6-methylpyrimidine-4-carbaldehyde?
2-(3,6-dihydro-2H-pyran-4-yl)-6-methylpyrimidine-4-carbaldehyde has a molecular weight of 204.23 g/mol, XLogP of 1.40, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,6-dihydro-2H-pyran-4-yl)-6-methylpyrimidine-4-carbaldehyde is sourced from PubChem (CID 170328502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).