4-chloro-2-ethenyl-5-methoxypyrimidine

C7H7ClN2O — CID 175485449

IUPAC4-chloro-2-ethenyl-5-methoxypyrimidine
SMILESC=Cc1ncc(OC)c(Cl)n1
InChIInChI=1S/C7H7ClN2O/c1-3-6-9-4-5(11-2)7(8)10-6/h3-4H,1H2,2H3
InChIKeyHCPQRHKSIRTAIK-UHFFFAOYSA-N
MW170.60 g/mol
LogP1.78
Rot. Bonds2

About 4-chloro-2-ethenyl-5-methoxypyrimidine

4-chloro-2-ethenyl-5-methoxypyrimidine (PubChem CID 175485449) has the molecular formula C7H7ClN2O and a molecular weight of 170.60 g/mol. Its IUPAC name is 4-chloro-2-ethenyl-5-methoxypyrimidine.

Molecular Properties

Compound Name4-chloro-2-ethenyl-5-methoxypyrimidine
PubChem CID175485449
Molecular FormulaC7H7ClN2O
Molecular Weight170.60 g/mol
Exact Mass170.02
IUPAC Name4-chloro-2-ethenyl-5-methoxypyrimidine
SMILESC=Cc1ncc(OC)c(Cl)n1
InChIInChI=1S/C7H7ClN2O/c1-3-6-9-4-5(11-2)7(8)10-6/h3-4H,1H2,2H3
InChIKeyHCPQRHKSIRTAIK-UHFFFAOYSA-N
XLogP1.78
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.60
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-ethenyl-5-methoxypyrimidine?
The IUPAC name of 4-chloro-2-ethenyl-5-methoxypyrimidine (CID 175485449) is 4-chloro-2-ethenyl-5-methoxypyrimidine.
What is the SMILES notation for 4-chloro-2-ethenyl-5-methoxypyrimidine?
The canonical SMILES for 4-chloro-2-ethenyl-5-methoxypyrimidine is C=Cc1ncc(OC)c(Cl)n1.
What is the InChIKey of 4-chloro-2-ethenyl-5-methoxypyrimidine?
The InChIKey is HCPQRHKSIRTAIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN2O/c1-3-6-9-4-5(11-2)7(8)10-6/h3-4H,1H2,2H3.
What are the key properties of 4-chloro-2-ethenyl-5-methoxypyrimidine?
4-chloro-2-ethenyl-5-methoxypyrimidine has a molecular weight of 170.60 g/mol, XLogP of 1.78, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-ethenyl-5-methoxypyrimidine is sourced from PubChem (CID 175485449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).