5-chloro-4-ethylpyrimidine

C6H7ClN2 — CID 19892100

IUPAC5-chloro-4-ethylpyrimidine
SMILESCCc1ncncc1Cl
InChIInChI=1S/C6H7ClN2/c1-2-6-5(7)3-8-4-9-6/h3-4H,2H2,1H3
InChIKeyVVMFRCLFEHYVPL-UHFFFAOYSA-N
MW142.59 g/mol
LogP1.69
Rot. Bonds1

About 5-chloro-4-ethylpyrimidine

5-chloro-4-ethylpyrimidine (PubChem CID 19892100) has the molecular formula C6H7ClN2 and a molecular weight of 142.59 g/mol. Its IUPAC name is 5-chloro-4-ethylpyrimidine.

Molecular Properties

Compound Name5-chloro-4-ethylpyrimidine
PubChem CID19892100
Molecular FormulaC6H7ClN2
Molecular Weight142.59 g/mol
Exact Mass142.03
IUPAC Name5-chloro-4-ethylpyrimidine
SMILESCCc1ncncc1Cl
InChIInChI=1S/C6H7ClN2/c1-2-6-5(7)3-8-4-9-6/h3-4H,2H2,1H3
InChIKeyVVMFRCLFEHYVPL-UHFFFAOYSA-N
XLogP1.69
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.59
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-ethylpyrimidine?
The IUPAC name of 5-chloro-4-ethylpyrimidine (CID 19892100) is 5-chloro-4-ethylpyrimidine.
What is the SMILES notation for 5-chloro-4-ethylpyrimidine?
The canonical SMILES for 5-chloro-4-ethylpyrimidine is CCc1ncncc1Cl.
What is the InChIKey of 5-chloro-4-ethylpyrimidine?
The InChIKey is VVMFRCLFEHYVPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN2/c1-2-6-5(7)3-8-4-9-6/h3-4H,2H2,1H3.
What are the key properties of 5-chloro-4-ethylpyrimidine?
5-chloro-4-ethylpyrimidine has a molecular weight of 142.59 g/mol, XLogP of 1.69, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-ethylpyrimidine is sourced from PubChem (CID 19892100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).