4-chloro-6-(5-ethoxy-3-pyridinyl)-2-(methoxymethyl)pyrimidine

C13H14ClN3O2 — CID 113401167

IUPAC4-chloro-6-(5-ethoxy-3-pyridinyl)-2-(methoxymethyl)pyrimidine
SMILESCCOc1cncc(-c2cc(Cl)nc(COC)n2)c1
InChIInChI=1S/C13H14ClN3O2/c1-3-19-10-4-9(6-15-7-10)11-5-12(14)17-13(16-11)8-18-2/h4-7H,3,8H2,1-2H3
InChIKeyWOSLMOOSRVNSPB-UHFFFAOYSA-N
MW279.73 g/mol
LogP2.74
Rot. Bonds5

About 4-chloro-6-(5-ethoxy-3-pyridinyl)-2-(methoxymethyl)pyrimidine

4-chloro-6-(5-ethoxy-3-pyridinyl)-2-(methoxymethyl)pyrimidine (PubChem CID 113401167) has the molecular formula C13H14ClN3O2 and a molecular weight of 279.73 g/mol. Its IUPAC name is 4-chloro-6-(5-ethoxy-3-pyridinyl)-2-(methoxymethyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-(5-ethoxy-3-pyridinyl)-2-(methoxymethyl)pyrimidine
PubChem CID113401167
Molecular FormulaC13H14ClN3O2
Molecular Weight279.73 g/mol
Exact Mass279.08
IUPAC Name4-chloro-6-(5-ethoxy-3-pyridinyl)-2-(methoxymethyl)pyrimidine
SMILESCCOc1cncc(-c2cc(Cl)nc(COC)n2)c1
InChIInChI=1S/C13H14ClN3O2/c1-3-19-10-4-9(6-15-7-10)11-5-12(14)17-13(16-11)8-18-2/h4-7H,3,8H2,1-2H3
InChIKeyWOSLMOOSRVNSPB-UHFFFAOYSA-N
XLogP2.74
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.73
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(5-ethoxy-3-pyridinyl)-2-(methoxymethyl)pyrimidine?
The IUPAC name of 4-chloro-6-(5-ethoxy-3-pyridinyl)-2-(methoxymethyl)pyrimidine (CID 113401167) is 4-chloro-6-(5-ethoxy-3-pyridinyl)-2-(methoxymethyl)pyrimidine.
What is the SMILES notation for 4-chloro-6-(5-ethoxy-3-pyridinyl)-2-(methoxymethyl)pyrimidine?
The canonical SMILES for 4-chloro-6-(5-ethoxy-3-pyridinyl)-2-(methoxymethyl)pyrimidine is CCOc1cncc(-c2cc(Cl)nc(COC)n2)c1.
What is the InChIKey of 4-chloro-6-(5-ethoxy-3-pyridinyl)-2-(methoxymethyl)pyrimidine?
The InChIKey is WOSLMOOSRVNSPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O2/c1-3-19-10-4-9(6-15-7-10)11-5-12(14)17-13(16-11)8-18-2/h4-7H,3,8H2,1-2H3.
What are the key properties of 4-chloro-6-(5-ethoxy-3-pyridinyl)-2-(methoxymethyl)pyrimidine?
4-chloro-6-(5-ethoxy-3-pyridinyl)-2-(methoxymethyl)pyrimidine has a molecular weight of 279.73 g/mol, XLogP of 2.74, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(5-ethoxy-3-pyridinyl)-2-(methoxymethyl)pyrimidine is sourced from PubChem (CID 113401167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).