4-(dimethoxymethyl)-2-ethylpyrimidine

C9H14N2O2 — CID 115531690

IUPAC4-(dimethoxymethyl)-2-ethylpyrimidine
SMILESCCc1nccc(C(OC)OC)n1
InChIInChI=1S/C9H14N2O2/c1-4-8-10-6-5-7(11-8)9(12-2)13-3/h5-6,9H,4H2,1-3H3
InChIKeyGENXSCLANIGYIA-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.33
Rot. Bonds4

About 4-(dimethoxymethyl)-2-ethylpyrimidine

4-(dimethoxymethyl)-2-ethylpyrimidine (PubChem CID 115531690) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 4-(dimethoxymethyl)-2-ethylpyrimidine.

Molecular Properties

Compound Name4-(dimethoxymethyl)-2-ethylpyrimidine
PubChem CID115531690
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name4-(dimethoxymethyl)-2-ethylpyrimidine
SMILESCCc1nccc(C(OC)OC)n1
InChIInChI=1S/C9H14N2O2/c1-4-8-10-6-5-7(11-8)9(12-2)13-3/h5-6,9H,4H2,1-3H3
InChIKeyGENXSCLANIGYIA-UHFFFAOYSA-N
XLogP1.33
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.33
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 4-(dimethoxymethyl)-2-ethylpyrimidine?
The IUPAC name of 4-(dimethoxymethyl)-2-ethylpyrimidine (CID 115531690) is 4-(dimethoxymethyl)-2-ethylpyrimidine.
What is the SMILES notation for 4-(dimethoxymethyl)-2-ethylpyrimidine?
The canonical SMILES for 4-(dimethoxymethyl)-2-ethylpyrimidine is CCc1nccc(C(OC)OC)n1.
What is the InChIKey of 4-(dimethoxymethyl)-2-ethylpyrimidine?
The InChIKey is GENXSCLANIGYIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-4-8-10-6-5-7(11-8)9(12-2)13-3/h5-6,9H,4H2,1-3H3.
What are the key properties of 4-(dimethoxymethyl)-2-ethylpyrimidine?
4-(dimethoxymethyl)-2-ethylpyrimidine has a molecular weight of 182.22 g/mol, XLogP of 1.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethoxymethyl)-2-ethylpyrimidine is sourced from PubChem (CID 115531690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).