2-(6-methoxy-2-propan-2-ylpyrimidin-4-yl)acetaldehyde

C10H14N2O2 — CID 83878785

IUPAC2-(6-methoxy-2-propan-2-ylpyrimidin-4-yl)acetaldehyde
SMILESCOc1cc(CC=O)nc(C(C)C)n1
InChIInChI=1S/C10H14N2O2/c1-7(2)10-11-8(4-5-13)6-9(12-10)14-3/h5-7H,4H2,1-3H3
InChIKeyMGWGZFPZTJKFFQ-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.35
Rot. Bonds4

About 2-(6-methoxy-2-propan-2-ylpyrimidin-4-yl)acetaldehyde

2-(6-methoxy-2-propan-2-ylpyrimidin-4-yl)acetaldehyde (PubChem CID 83878785) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2-(6-methoxy-2-propan-2-ylpyrimidin-4-yl)acetaldehyde.

Molecular Properties

Compound Name2-(6-methoxy-2-propan-2-ylpyrimidin-4-yl)acetaldehyde
PubChem CID83878785
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name2-(6-methoxy-2-propan-2-ylpyrimidin-4-yl)acetaldehyde
SMILESCOc1cc(CC=O)nc(C(C)C)n1
InChIInChI=1S/C10H14N2O2/c1-7(2)10-11-8(4-5-13)6-9(12-10)14-3/h5-7H,4H2,1-3H3
InChIKeyMGWGZFPZTJKFFQ-UHFFFAOYSA-N
XLogP1.35
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.35
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

(6-methoxy-2-propan-2-ylpyrimidin-4-yl)methanamine
CID 83851901
3-(6-methoxy-2-propan-2-ylpyrimidin-4-yl)propan-1-amine
CID 83884578
[methoxy-(6-methoxy-2-propan-2-ylpyrimidin-4-yl)oxyphosphoryl]methanethial
CID 18927901
1-[4-[(2-fluorophenyl)methyl]-6-methoxypyrimidin-2-yl]ethanamine
CID 82666098
2-(6-ethoxypyrimidin-4-yl)acetaldehyde
CID 83873423
2-(3-methoxy-1,2-oxazol-5-yl)acetaldehyde
CID 162341476
2-(4,6-dimethoxypyrimidin-2-yl)-4-methylpentanoic acid
CID 113428058
1-(6-methoxy-2-methylpyrimidin-4-yl)-3-methylbutan-2-one
CID 66332481
2-[4-(2-methylpropoxy)-2-pyridinyl]acetaldehyde
CID 83878359
N-(3-ethoxypropyl)-6-methoxy-2-propan-2-ylpyrimidin-4-amine
CID 82453767
2-(3-fluoro-6-methoxy-8-methyl-1,5-naphthyridin-4-yl)acetaldehyde
CID 163456623
2-methoxy-N-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)methyl]ethanamine
CID 62745007

Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxy-2-propan-2-ylpyrimidin-4-yl)acetaldehyde?
The IUPAC name of 2-(6-methoxy-2-propan-2-ylpyrimidin-4-yl)acetaldehyde (CID 83878785) is 2-(6-methoxy-2-propan-2-ylpyrimidin-4-yl)acetaldehyde.
What is the SMILES notation for 2-(6-methoxy-2-propan-2-ylpyrimidin-4-yl)acetaldehyde?
The canonical SMILES for 2-(6-methoxy-2-propan-2-ylpyrimidin-4-yl)acetaldehyde is COc1cc(CC=O)nc(C(C)C)n1.
What is the InChIKey of 2-(6-methoxy-2-propan-2-ylpyrimidin-4-yl)acetaldehyde?
The InChIKey is MGWGZFPZTJKFFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-7(2)10-11-8(4-5-13)6-9(12-10)14-3/h5-7H,4H2,1-3H3.
What are the key properties of 2-(6-methoxy-2-propan-2-ylpyrimidin-4-yl)acetaldehyde?
2-(6-methoxy-2-propan-2-ylpyrimidin-4-yl)acetaldehyde has a molecular weight of 194.23 g/mol, XLogP of 1.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxy-2-propan-2-ylpyrimidin-4-yl)acetaldehyde is sourced from PubChem (CID 83878785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).