2-(6-ethoxypyrimidin-4-yl)acetaldehyde

C8H10N2O2 — CID 83873423

IUPAC2-(6-ethoxypyrimidin-4-yl)acetaldehyde
SMILESCCOc1cc(CC=O)ncn1
InChIInChI=1S/C8H10N2O2/c1-2-12-8-5-7(3-4-11)9-6-10-8/h4-6H,2-3H2,1H3
InChIKeyPVIGHCHOESSVDV-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.62
Rot. Bonds4

About 2-(6-ethoxypyrimidin-4-yl)acetaldehyde

2-(6-ethoxypyrimidin-4-yl)acetaldehyde (PubChem CID 83873423) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is 2-(6-ethoxypyrimidin-4-yl)acetaldehyde.

Molecular Properties

Compound Name2-(6-ethoxypyrimidin-4-yl)acetaldehyde
PubChem CID83873423
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name2-(6-ethoxypyrimidin-4-yl)acetaldehyde
SMILESCCOc1cc(CC=O)ncn1
InChIInChI=1S/C8H10N2O2/c1-2-12-8-5-7(3-4-11)9-6-10-8/h4-6H,2-3H2,1H3
InChIKeyPVIGHCHOESSVDV-UHFFFAOYSA-N
XLogP0.62
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[6-(dimethylamino)pyrimidin-4-yl]acetaldehyde
CID 83873287
2-(6-ethoxypyrimidin-4-yl)ethanimidamide
CID 83875449
2-(6-ethoxypyrimidin-4-yl)-N'-hydroxyethanimidamide
CID 83879809
1-(6-ethoxypyrimidin-4-yl)-3-methoxypropan-2-amine
CID 66318346
6-ethoxypyrimidin-4-amine;hydrochloride
CID 169439907
4-(2-bromo-2-cyclopropylethyl)-6-ethoxypyrimidine
CID 66333376
1-(6-ethoxypyrimidin-4-yl)-N-propylbutan-2-amine
CID 66318571
2-amino-2-(6-ethoxypyrimidin-4-yl)acetic acid
CID 83880025
2-(6-ethoxypyrimidin-4-yl)-N-ethyl-1-phenylethanamine
CID 66318580
6-ethoxy-N-(pyrimidin-4-ylmethyl)pyrimidin-4-amine
CID 114111488
(2R)-2-[(6-ethoxypyrimidin-4-yl)amino]-N-methylpropanamide
CID 133485696
2-[4-(6-ethoxypyrimidin-4-yl)thiomorpholin-3-yl]acetic acid
CID 66445483

Frequently Asked Questions

What is the IUPAC name of 2-(6-ethoxypyrimidin-4-yl)acetaldehyde?
The IUPAC name of 2-(6-ethoxypyrimidin-4-yl)acetaldehyde (CID 83873423) is 2-(6-ethoxypyrimidin-4-yl)acetaldehyde.
What is the SMILES notation for 2-(6-ethoxypyrimidin-4-yl)acetaldehyde?
The canonical SMILES for 2-(6-ethoxypyrimidin-4-yl)acetaldehyde is CCOc1cc(CC=O)ncn1.
What is the InChIKey of 2-(6-ethoxypyrimidin-4-yl)acetaldehyde?
The InChIKey is PVIGHCHOESSVDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c1-2-12-8-5-7(3-4-11)9-6-10-8/h4-6H,2-3H2,1H3.
What are the key properties of 2-(6-ethoxypyrimidin-4-yl)acetaldehyde?
2-(6-ethoxypyrimidin-4-yl)acetaldehyde has a molecular weight of 166.18 g/mol, XLogP of 0.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-ethoxypyrimidin-4-yl)acetaldehyde is sourced from PubChem (CID 83873423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).