5-methyl-3-pyrimidin-2-yl-1,3-oxazolidine-2-carbaldehyde

C9H11N3O2 — CID 174702497

IUPAC5-methyl-3-pyrimidin-2-yl-1,3-oxazolidine-2-carbaldehyde
SMILESCC1CN(c2ncccn2)C(C=O)O1
InChIInChI=1S/C9H11N3O2/c1-7-5-12(8(6-13)14-7)9-10-3-2-4-11-9/h2-4,6-8H,5H2,1H3
InChIKeyUZGHCMFNKRADDW-UHFFFAOYSA-N
MW193.21 g/mol
LogP0.23
Rot. Bonds2

About 5-methyl-3-pyrimidin-2-yl-1,3-oxazolidine-2-carbaldehyde

5-methyl-3-pyrimidin-2-yl-1,3-oxazolidine-2-carbaldehyde (PubChem CID 174702497) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is 5-methyl-3-pyrimidin-2-yl-1,3-oxazolidine-2-carbaldehyde.

Molecular Properties

Compound Name5-methyl-3-pyrimidin-2-yl-1,3-oxazolidine-2-carbaldehyde
PubChem CID174702497
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC Name5-methyl-3-pyrimidin-2-yl-1,3-oxazolidine-2-carbaldehyde
SMILESCC1CN(c2ncccn2)C(C=O)O1
InChIInChI=1S/C9H11N3O2/c1-7-5-12(8(6-13)14-7)9-10-3-2-4-11-9/h2-4,6-8H,5H2,1H3
InChIKeyUZGHCMFNKRADDW-UHFFFAOYSA-N
XLogP0.23
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 50.23
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 5-methyl-3-pyrimidin-2-yl-1,3-oxazolidine-2-carbaldehyde?
The IUPAC name of 5-methyl-3-pyrimidin-2-yl-1,3-oxazolidine-2-carbaldehyde (CID 174702497) is 5-methyl-3-pyrimidin-2-yl-1,3-oxazolidine-2-carbaldehyde.
What is the SMILES notation for 5-methyl-3-pyrimidin-2-yl-1,3-oxazolidine-2-carbaldehyde?
The canonical SMILES for 5-methyl-3-pyrimidin-2-yl-1,3-oxazolidine-2-carbaldehyde is CC1CN(c2ncccn2)C(C=O)O1.
What is the InChIKey of 5-methyl-3-pyrimidin-2-yl-1,3-oxazolidine-2-carbaldehyde?
The InChIKey is UZGHCMFNKRADDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2/c1-7-5-12(8(6-13)14-7)9-10-3-2-4-11-9/h2-4,6-8H,5H2,1H3.
What are the key properties of 5-methyl-3-pyrimidin-2-yl-1,3-oxazolidine-2-carbaldehyde?
5-methyl-3-pyrimidin-2-yl-1,3-oxazolidine-2-carbaldehyde has a molecular weight of 193.21 g/mol, XLogP of 0.23, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-pyrimidin-2-yl-1,3-oxazolidine-2-carbaldehyde is sourced from PubChem (CID 174702497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).