4-chloro-6-ethyl-2-(2-methoxyethyl)pyrimidine

C9H13ClN2O — CID 61412759

IUPAC4-chloro-6-ethyl-2-(2-methoxyethyl)pyrimidine
SMILESCCc1cc(Cl)nc(CCOC)n1
InChIInChI=1S/C9H13ClN2O/c1-3-7-6-8(10)12-9(11-7)4-5-13-2/h6H,3-5H2,1-2H3
InChIKeyGSMWSQAAANQMKV-UHFFFAOYSA-N
MW200.67 g/mol
LogP1.88
Rot. Bonds4

About 4-chloro-6-ethyl-2-(2-methoxyethyl)pyrimidine

4-chloro-6-ethyl-2-(2-methoxyethyl)pyrimidine (PubChem CID 61412759) has the molecular formula C9H13ClN2O and a molecular weight of 200.67 g/mol. Its IUPAC name is 4-chloro-6-ethyl-2-(2-methoxyethyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-ethyl-2-(2-methoxyethyl)pyrimidine
PubChem CID61412759
Molecular FormulaC9H13ClN2O
Molecular Weight200.67 g/mol
Exact Mass200.07
IUPAC Name4-chloro-6-ethyl-2-(2-methoxyethyl)pyrimidine
SMILESCCc1cc(Cl)nc(CCOC)n1
InChIInChI=1S/C9H13ClN2O/c1-3-7-6-8(10)12-9(11-7)4-5-13-2/h6H,3-5H2,1-2H3
InChIKeyGSMWSQAAANQMKV-UHFFFAOYSA-N
XLogP1.88
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.67
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-ethyl-2-(2-methoxyethyl)pyrimidine?
The IUPAC name of 4-chloro-6-ethyl-2-(2-methoxyethyl)pyrimidine (CID 61412759) is 4-chloro-6-ethyl-2-(2-methoxyethyl)pyrimidine.
What is the SMILES notation for 4-chloro-6-ethyl-2-(2-methoxyethyl)pyrimidine?
The canonical SMILES for 4-chloro-6-ethyl-2-(2-methoxyethyl)pyrimidine is CCc1cc(Cl)nc(CCOC)n1.
What is the InChIKey of 4-chloro-6-ethyl-2-(2-methoxyethyl)pyrimidine?
The InChIKey is GSMWSQAAANQMKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O/c1-3-7-6-8(10)12-9(11-7)4-5-13-2/h6H,3-5H2,1-2H3.
What are the key properties of 4-chloro-6-ethyl-2-(2-methoxyethyl)pyrimidine?
4-chloro-6-ethyl-2-(2-methoxyethyl)pyrimidine has a molecular weight of 200.67 g/mol, XLogP of 1.88, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-ethyl-2-(2-methoxyethyl)pyrimidine is sourced from PubChem (CID 61412759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).