2-(2-cyclopropyl-4-methoxypyrimidin-5-yl)acetaldehyde

C10H12N2O2 — CID 83878019

IUPAC2-(2-cyclopropyl-4-methoxypyrimidin-5-yl)acetaldehyde
SMILESCOc1nc(C2CC2)ncc1CC=O
InChIInChI=1S/C10H12N2O2/c1-14-10-8(4-5-13)6-11-9(12-10)7-2-3-7/h5-7H,2-4H2,1H3
InChIKeyBVVXNVLAOBXSAT-UHFFFAOYSA-N
MW192.22 g/mol
LogP1.10
Rot. Bonds4

About 2-(2-cyclopropyl-4-methoxypyrimidin-5-yl)acetaldehyde

2-(2-cyclopropyl-4-methoxypyrimidin-5-yl)acetaldehyde (PubChem CID 83878019) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 2-(2-cyclopropyl-4-methoxypyrimidin-5-yl)acetaldehyde.

Molecular Properties

Compound Name2-(2-cyclopropyl-4-methoxypyrimidin-5-yl)acetaldehyde
PubChem CID83878019
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name2-(2-cyclopropyl-4-methoxypyrimidin-5-yl)acetaldehyde
SMILESCOc1nc(C2CC2)ncc1CC=O
InChIInChI=1S/C10H12N2O2/c1-14-10-8(4-5-13)6-11-9(12-10)7-2-3-7/h5-7H,2-4H2,1H3
InChIKeyBVVXNVLAOBXSAT-UHFFFAOYSA-N
XLogP1.10
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 51.10
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-cyclopropyl-4-methoxypyrimidin-5-yl)acetaldehyde?
The IUPAC name of 2-(2-cyclopropyl-4-methoxypyrimidin-5-yl)acetaldehyde (CID 83878019) is 2-(2-cyclopropyl-4-methoxypyrimidin-5-yl)acetaldehyde.
What is the SMILES notation for 2-(2-cyclopropyl-4-methoxypyrimidin-5-yl)acetaldehyde?
The canonical SMILES for 2-(2-cyclopropyl-4-methoxypyrimidin-5-yl)acetaldehyde is COc1nc(C2CC2)ncc1CC=O.
What is the InChIKey of 2-(2-cyclopropyl-4-methoxypyrimidin-5-yl)acetaldehyde?
The InChIKey is BVVXNVLAOBXSAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c1-14-10-8(4-5-13)6-11-9(12-10)7-2-3-7/h5-7H,2-4H2,1H3.
What are the key properties of 2-(2-cyclopropyl-4-methoxypyrimidin-5-yl)acetaldehyde?
2-(2-cyclopropyl-4-methoxypyrimidin-5-yl)acetaldehyde has a molecular weight of 192.22 g/mol, XLogP of 1.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopropyl-4-methoxypyrimidin-5-yl)acetaldehyde is sourced from PubChem (CID 83878019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).