4-chloro-2-(ethoxymethyl)-6-(3-methoxy-3-methylbutoxy)pyrimidine

C13H21ClN2O3 — CID 106665560

IUPAC4-chloro-2-(ethoxymethyl)-6-(3-methoxy-3-methylbutoxy)pyrimidine
SMILESCCOCc1nc(Cl)cc(OCCC(C)(C)OC)n1
InChIInChI=1S/C13H21ClN2O3/c1-5-18-9-11-15-10(14)8-12(16-11)19-7-6-13(2,3)17-4/h8H,5-7,9H2,1-4H3
InChIKeyGHULPIZOKBQGEW-UHFFFAOYSA-N
MW288.78 g/mol
LogP2.86
Rot. Bonds8

About 4-chloro-2-(ethoxymethyl)-6-(3-methoxy-3-methylbutoxy)pyrimidine

4-chloro-2-(ethoxymethyl)-6-(3-methoxy-3-methylbutoxy)pyrimidine (PubChem CID 106665560) has the molecular formula C13H21ClN2O3 and a molecular weight of 288.78 g/mol. Its IUPAC name is 4-chloro-2-(ethoxymethyl)-6-(3-methoxy-3-methylbutoxy)pyrimidine.

Molecular Properties

Compound Name4-chloro-2-(ethoxymethyl)-6-(3-methoxy-3-methylbutoxy)pyrimidine
PubChem CID106665560
Molecular FormulaC13H21ClN2O3
Molecular Weight288.78 g/mol
Exact Mass288.12
IUPAC Name4-chloro-2-(ethoxymethyl)-6-(3-methoxy-3-methylbutoxy)pyrimidine
SMILESCCOCc1nc(Cl)cc(OCCC(C)(C)OC)n1
InChIInChI=1S/C13H21ClN2O3/c1-5-18-9-11-15-10(14)8-12(16-11)19-7-6-13(2,3)17-4/h8H,5-7,9H2,1-4H3
InChIKeyGHULPIZOKBQGEW-UHFFFAOYSA-N
XLogP2.86
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(ethoxymethyl)-6-(3-methoxy-3-methylbutoxy)pyrimidine?
The IUPAC name of 4-chloro-2-(ethoxymethyl)-6-(3-methoxy-3-methylbutoxy)pyrimidine (CID 106665560) is 4-chloro-2-(ethoxymethyl)-6-(3-methoxy-3-methylbutoxy)pyrimidine.
What is the SMILES notation for 4-chloro-2-(ethoxymethyl)-6-(3-methoxy-3-methylbutoxy)pyrimidine?
The canonical SMILES for 4-chloro-2-(ethoxymethyl)-6-(3-methoxy-3-methylbutoxy)pyrimidine is CCOCc1nc(Cl)cc(OCCC(C)(C)OC)n1.
What is the InChIKey of 4-chloro-2-(ethoxymethyl)-6-(3-methoxy-3-methylbutoxy)pyrimidine?
The InChIKey is GHULPIZOKBQGEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2O3/c1-5-18-9-11-15-10(14)8-12(16-11)19-7-6-13(2,3)17-4/h8H,5-7,9H2,1-4H3.
What are the key properties of 4-chloro-2-(ethoxymethyl)-6-(3-methoxy-3-methylbutoxy)pyrimidine?
4-chloro-2-(ethoxymethyl)-6-(3-methoxy-3-methylbutoxy)pyrimidine has a molecular weight of 288.78 g/mol, XLogP of 2.86, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(ethoxymethyl)-6-(3-methoxy-3-methylbutoxy)pyrimidine is sourced from PubChem (CID 106665560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).