4,6-dichloro-5-fluoro-2-(2-methylpropyl)pyrimidine

C8H9Cl2FN2 — CID 79033232

IUPAC4,6-dichloro-5-fluoro-2-(2-methylpropyl)pyrimidine
SMILESCC(C)Cc1nc(Cl)c(F)c(Cl)n1
InChIInChI=1S/C8H9Cl2FN2/c1-4(2)3-5-12-7(9)6(11)8(10)13-5/h4H,3H2,1-2H3
InChIKeyUUCHUDBAMAJSLM-UHFFFAOYSA-N
MW223.08 g/mol
LogP3.12
Rot. Bonds2

About 4,6-dichloro-5-fluoro-2-(2-methylpropyl)pyrimidine

4,6-dichloro-5-fluoro-2-(2-methylpropyl)pyrimidine (PubChem CID 79033232) has the molecular formula C8H9Cl2FN2 and a molecular weight of 223.08 g/mol. Its IUPAC name is 4,6-dichloro-5-fluoro-2-(2-methylpropyl)pyrimidine.

Molecular Properties

Compound Name4,6-dichloro-5-fluoro-2-(2-methylpropyl)pyrimidine
PubChem CID79033232
Molecular FormulaC8H9Cl2FN2
Molecular Weight223.08 g/mol
Exact Mass222.01
IUPAC Name4,6-dichloro-5-fluoro-2-(2-methylpropyl)pyrimidine
SMILESCC(C)Cc1nc(Cl)c(F)c(Cl)n1
InChIInChI=1S/C8H9Cl2FN2/c1-4(2)3-5-12-7(9)6(11)8(10)13-5/h4H,3H2,1-2H3
InChIKeyUUCHUDBAMAJSLM-UHFFFAOYSA-N
XLogP3.12
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.08
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-5-fluoro-2-(2-methylpropyl)pyrimidine?
The IUPAC name of 4,6-dichloro-5-fluoro-2-(2-methylpropyl)pyrimidine (CID 79033232) is 4,6-dichloro-5-fluoro-2-(2-methylpropyl)pyrimidine.
What is the SMILES notation for 4,6-dichloro-5-fluoro-2-(2-methylpropyl)pyrimidine?
The canonical SMILES for 4,6-dichloro-5-fluoro-2-(2-methylpropyl)pyrimidine is CC(C)Cc1nc(Cl)c(F)c(Cl)n1.
What is the InChIKey of 4,6-dichloro-5-fluoro-2-(2-methylpropyl)pyrimidine?
The InChIKey is UUCHUDBAMAJSLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Cl2FN2/c1-4(2)3-5-12-7(9)6(11)8(10)13-5/h4H,3H2,1-2H3.
What are the key properties of 4,6-dichloro-5-fluoro-2-(2-methylpropyl)pyrimidine?
4,6-dichloro-5-fluoro-2-(2-methylpropyl)pyrimidine has a molecular weight of 223.08 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-5-fluoro-2-(2-methylpropyl)pyrimidine is sourced from PubChem (CID 79033232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).