4-tert-butyl-5-chloro-6-fluoropyrimidine

C8H10ClFN2 — CID 146377551

IUPAC4-tert-butyl-5-chloro-6-fluoropyrimidine
SMILESCC(C)(C)c1ncnc(F)c1Cl
InChIInChI=1S/C8H10ClFN2/c1-8(2,3)6-5(9)7(10)12-4-11-6/h4H,1-3H3
InChIKeyJARRVYTZFYGKED-UHFFFAOYSA-N
MW188.63 g/mol
LogP2.57
Rot. Bonds

About 4-tert-butyl-5-chloro-6-fluoropyrimidine

4-tert-butyl-5-chloro-6-fluoropyrimidine (PubChem CID 146377551) has the molecular formula C8H10ClFN2 and a molecular weight of 188.63 g/mol. Its IUPAC name is 4-tert-butyl-5-chloro-6-fluoropyrimidine.

Molecular Properties

Compound Name4-tert-butyl-5-chloro-6-fluoropyrimidine
PubChem CID146377551
Molecular FormulaC8H10ClFN2
Molecular Weight188.63 g/mol
Exact Mass188.05
IUPAC Name4-tert-butyl-5-chloro-6-fluoropyrimidine
SMILESCC(C)(C)c1ncnc(F)c1Cl
InChIInChI=1S/C8H10ClFN2/c1-8(2,3)6-5(9)7(10)12-4-11-6/h4H,1-3H3
InChIKeyJARRVYTZFYGKED-UHFFFAOYSA-N
XLogP2.57
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.63
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-5-chloro-6-fluoropyrimidine?
The IUPAC name of 4-tert-butyl-5-chloro-6-fluoropyrimidine (CID 146377551) is 4-tert-butyl-5-chloro-6-fluoropyrimidine.
What is the SMILES notation for 4-tert-butyl-5-chloro-6-fluoropyrimidine?
The canonical SMILES for 4-tert-butyl-5-chloro-6-fluoropyrimidine is CC(C)(C)c1ncnc(F)c1Cl.
What is the InChIKey of 4-tert-butyl-5-chloro-6-fluoropyrimidine?
The InChIKey is JARRVYTZFYGKED-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClFN2/c1-8(2,3)6-5(9)7(10)12-4-11-6/h4H,1-3H3.
What are the key properties of 4-tert-butyl-5-chloro-6-fluoropyrimidine?
4-tert-butyl-5-chloro-6-fluoropyrimidine has a molecular weight of 188.63 g/mol, XLogP of 2.57, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-5-chloro-6-fluoropyrimidine is sourced from PubChem (CID 146377551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).