4-butyl-2-chloropyrimidine

C8H11ClN2 — CID 14745024

IUPAC4-butyl-2-chloropyrimidine
SMILESCCCCc1ccnc(Cl)n1
InChIInChI=1S/C8H11ClN2/c1-2-3-4-7-5-6-10-8(9)11-7/h5-6H,2-4H2,1H3
InChIKeyYQGUUMHQZKAIJY-UHFFFAOYSA-N
MW170.64 g/mol
LogP2.47
Rot. Bonds3

About 4-butyl-2-chloropyrimidine

4-butyl-2-chloropyrimidine (PubChem CID 14745024) has the molecular formula C8H11ClN2 and a molecular weight of 170.64 g/mol. Its IUPAC name is 4-butyl-2-chloropyrimidine.

Molecular Properties

Compound Name4-butyl-2-chloropyrimidine
PubChem CID14745024
Molecular FormulaC8H11ClN2
Molecular Weight170.64 g/mol
Exact Mass170.06
IUPAC Name4-butyl-2-chloropyrimidine
SMILESCCCCc1ccnc(Cl)n1
InChIInChI=1S/C8H11ClN2/c1-2-3-4-7-5-6-10-8(9)11-7/h5-6H,2-4H2,1H3
InChIKeyYQGUUMHQZKAIJY-UHFFFAOYSA-N
XLogP2.47
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.64
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-butyl-2-chloropyrimidine?
The IUPAC name of 4-butyl-2-chloropyrimidine (CID 14745024) is 4-butyl-2-chloropyrimidine.
What is the SMILES notation for 4-butyl-2-chloropyrimidine?
The canonical SMILES for 4-butyl-2-chloropyrimidine is CCCCc1ccnc(Cl)n1.
What is the InChIKey of 4-butyl-2-chloropyrimidine?
The InChIKey is YQGUUMHQZKAIJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2/c1-2-3-4-7-5-6-10-8(9)11-7/h5-6H,2-4H2,1H3.
What are the key properties of 4-butyl-2-chloropyrimidine?
4-butyl-2-chloropyrimidine has a molecular weight of 170.64 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-2-chloropyrimidine is sourced from PubChem (CID 14745024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).