2-(2,2-dimethoxyethyl)pyrimidine

C8H12N2O2 — CID 122163253

IUPAC2-(2,2-dimethoxyethyl)pyrimidine
SMILESCOC(Cc1ncccn1)OC
InChIInChI=1S/C8H12N2O2/c1-11-8(12-2)6-7-9-4-3-5-10-7/h3-5,8H,6H2,1-2H3
InChIKeyPGJYMOIAUNCFSF-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.64
Rot. Bonds4

About 2-(2,2-dimethoxyethyl)pyrimidine

2-(2,2-dimethoxyethyl)pyrimidine (PubChem CID 122163253) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 2-(2,2-dimethoxyethyl)pyrimidine.

Molecular Properties

Compound Name2-(2,2-dimethoxyethyl)pyrimidine
PubChem CID122163253
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name2-(2,2-dimethoxyethyl)pyrimidine
SMILESCOC(Cc1ncccn1)OC
InChIInChI=1S/C8H12N2O2/c1-11-8(12-2)6-7-9-4-3-5-10-7/h3-5,8H,6H2,1-2H3
InChIKeyPGJYMOIAUNCFSF-UHFFFAOYSA-N
XLogP0.64
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethoxyethyl)pyrimidine?
The IUPAC name of 2-(2,2-dimethoxyethyl)pyrimidine (CID 122163253) is 2-(2,2-dimethoxyethyl)pyrimidine.
What is the SMILES notation for 2-(2,2-dimethoxyethyl)pyrimidine?
The canonical SMILES for 2-(2,2-dimethoxyethyl)pyrimidine is COC(Cc1ncccn1)OC.
What is the InChIKey of 2-(2,2-dimethoxyethyl)pyrimidine?
The InChIKey is PGJYMOIAUNCFSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-11-8(12-2)6-7-9-4-3-5-10-7/h3-5,8H,6H2,1-2H3.
What are the key properties of 2-(2,2-dimethoxyethyl)pyrimidine?
2-(2,2-dimethoxyethyl)pyrimidine has a molecular weight of 168.20 g/mol, XLogP of 0.64, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethoxyethyl)pyrimidine is sourced from PubChem (CID 122163253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).