2-(2-propan-2-yloxypyrimidin-5-yl)acetaldehyde

C9H12N2O2 — CID 83875334

IUPAC2-(2-propan-2-yloxypyrimidin-5-yl)acetaldehyde
SMILESCC(C)Oc1ncc(CC=O)cn1
InChIInChI=1S/C9H12N2O2/c1-7(2)13-9-10-5-8(3-4-12)6-11-9/h4-7H,3H2,1-2H3
InChIKeyTVMGHSSOJFCVJD-UHFFFAOYSA-N
MW180.21 g/mol
LogP1.01
Rot. Bonds4

About 2-(2-propan-2-yloxypyrimidin-5-yl)acetaldehyde

2-(2-propan-2-yloxypyrimidin-5-yl)acetaldehyde (PubChem CID 83875334) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 2-(2-propan-2-yloxypyrimidin-5-yl)acetaldehyde.

Molecular Properties

Compound Name2-(2-propan-2-yloxypyrimidin-5-yl)acetaldehyde
PubChem CID83875334
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name2-(2-propan-2-yloxypyrimidin-5-yl)acetaldehyde
SMILESCC(C)Oc1ncc(CC=O)cn1
InChIInChI=1S/C9H12N2O2/c1-7(2)13-9-10-5-8(3-4-12)6-11-9/h4-7H,3H2,1-2H3
InChIKeyTVMGHSSOJFCVJD-UHFFFAOYSA-N
XLogP1.01
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 51.01
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-(2-propan-2-yloxypyrimidin-5-yl)acetic acid
CID 83879723
2-(2-propan-2-yloxypyrimidin-5-yl)ethanimidamide
CID 83878947
ethane;2-propan-2-yloxypyrimidine
CID 159788973
2-[4-[[2-(4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]oxy]phenyl]acetaldehyde
CID 123414265
5-methyl-6-propan-2-yloxypyridine-3-carbaldehyde
CID 55297707
2-[6-[(2-propan-2-yloxy-1,3-thiazol-5-yl)oxy]naphthalen-2-yl]acetaldehyde
CID 87564164
2-methoxy-5-(propan-2-yloxymethyl)pyrimidine
CID 134164833
2-piperidin-1-yl-2-(2-propan-2-yloxypyrimidin-5-yl)ethanamine
CID 102548964
N'-hydroxy-2-propan-2-yloxypyrimidine-5-carboximidamide
CID 83879802
2-[2-[(5-propan-2-yloxy-2-pyridinyl)oxy]quinolin-6-yl]acetaldehyde
CID 87564865
(3S)-3-(4-fluorophenyl)-3-(2-propan-2-yloxypyrimidin-5-yl)propanoic acid
CID 126664331
2-(4-methylpentan-2-yloxy)pyrimidin-5-amine
CID 61147396

Frequently Asked Questions

What is the IUPAC name of 2-(2-propan-2-yloxypyrimidin-5-yl)acetaldehyde?
The IUPAC name of 2-(2-propan-2-yloxypyrimidin-5-yl)acetaldehyde (CID 83875334) is 2-(2-propan-2-yloxypyrimidin-5-yl)acetaldehyde.
What is the SMILES notation for 2-(2-propan-2-yloxypyrimidin-5-yl)acetaldehyde?
The canonical SMILES for 2-(2-propan-2-yloxypyrimidin-5-yl)acetaldehyde is CC(C)Oc1ncc(CC=O)cn1.
What is the InChIKey of 2-(2-propan-2-yloxypyrimidin-5-yl)acetaldehyde?
The InChIKey is TVMGHSSOJFCVJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-7(2)13-9-10-5-8(3-4-12)6-11-9/h4-7H,3H2,1-2H3.
What are the key properties of 2-(2-propan-2-yloxypyrimidin-5-yl)acetaldehyde?
2-(2-propan-2-yloxypyrimidin-5-yl)acetaldehyde has a molecular weight of 180.21 g/mol, XLogP of 1.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propan-2-yloxypyrimidin-5-yl)acetaldehyde is sourced from PubChem (CID 83875334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).