2-[2-(dimethylamino)-4-ethylpyrimidin-5-yl]acetaldehyde

C10H15N3O — CID 83878419

IUPAC2-[2-(dimethylamino)-4-ethylpyrimidin-5-yl]acetaldehyde
SMILESCCc1nc(N(C)C)ncc1CC=O
InChIInChI=1S/C10H15N3O/c1-4-9-8(5-6-14)7-11-10(12-9)13(2)3/h6-7H,4-5H2,1-3H3
InChIKeyGQRWGAFVRRMPHE-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.85
Rot. Bonds4

About 2-[2-(dimethylamino)-4-ethylpyrimidin-5-yl]acetaldehyde

2-[2-(dimethylamino)-4-ethylpyrimidin-5-yl]acetaldehyde (PubChem CID 83878419) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 2-[2-(dimethylamino)-4-ethylpyrimidin-5-yl]acetaldehyde.

Molecular Properties

Compound Name2-[2-(dimethylamino)-4-ethylpyrimidin-5-yl]acetaldehyde
PubChem CID83878419
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name2-[2-(dimethylamino)-4-ethylpyrimidin-5-yl]acetaldehyde
SMILESCCc1nc(N(C)C)ncc1CC=O
InChIInChI=1S/C10H15N3O/c1-4-9-8(5-6-14)7-11-10(12-9)13(2)3/h6-7H,4-5H2,1-3H3
InChIKeyGQRWGAFVRRMPHE-UHFFFAOYSA-N
XLogP0.85
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.85
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-[2-(dimethylamino)-4-ethylpyrimidin-5-yl]acetaldehyde?
The IUPAC name of 2-[2-(dimethylamino)-4-ethylpyrimidin-5-yl]acetaldehyde (CID 83878419) is 2-[2-(dimethylamino)-4-ethylpyrimidin-5-yl]acetaldehyde.
What is the SMILES notation for 2-[2-(dimethylamino)-4-ethylpyrimidin-5-yl]acetaldehyde?
The canonical SMILES for 2-[2-(dimethylamino)-4-ethylpyrimidin-5-yl]acetaldehyde is CCc1nc(N(C)C)ncc1CC=O.
What is the InChIKey of 2-[2-(dimethylamino)-4-ethylpyrimidin-5-yl]acetaldehyde?
The InChIKey is GQRWGAFVRRMPHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-4-9-8(5-6-14)7-11-10(12-9)13(2)3/h6-7H,4-5H2,1-3H3.
What are the key properties of 2-[2-(dimethylamino)-4-ethylpyrimidin-5-yl]acetaldehyde?
2-[2-(dimethylamino)-4-ethylpyrimidin-5-yl]acetaldehyde has a molecular weight of 193.25 g/mol, XLogP of 0.85, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)-4-ethylpyrimidin-5-yl]acetaldehyde is sourced from PubChem (CID 83878419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).