2-chloro-5-fluoro-4-(2-methylpropoxy)pyrimidine

C8H10ClFN2O — CID 79081313

IUPAC2-chloro-5-fluoro-4-(2-methylpropoxy)pyrimidine
SMILESCC(C)COc1nc(Cl)ncc1F
InChIInChI=1S/C8H10ClFN2O/c1-5(2)4-13-7-6(10)3-11-8(9)12-7/h3,5H,4H2,1-2H3
InChIKeyBYGAEQWTJICAMO-UHFFFAOYSA-N
MW204.63 g/mol
LogP2.30
Rot. Bonds3

About 2-chloro-5-fluoro-4-(2-methylpropoxy)pyrimidine

2-chloro-5-fluoro-4-(2-methylpropoxy)pyrimidine (PubChem CID 79081313) has the molecular formula C8H10ClFN2O and a molecular weight of 204.63 g/mol. Its IUPAC name is 2-chloro-5-fluoro-4-(2-methylpropoxy)pyrimidine.

Molecular Properties

Compound Name2-chloro-5-fluoro-4-(2-methylpropoxy)pyrimidine
PubChem CID79081313
Molecular FormulaC8H10ClFN2O
Molecular Weight204.63 g/mol
Exact Mass204.05
IUPAC Name2-chloro-5-fluoro-4-(2-methylpropoxy)pyrimidine
SMILESCC(C)COc1nc(Cl)ncc1F
InChIInChI=1S/C8H10ClFN2O/c1-5(2)4-13-7-6(10)3-11-8(9)12-7/h3,5H,4H2,1-2H3
InChIKeyBYGAEQWTJICAMO-UHFFFAOYSA-N
XLogP2.30
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.63
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-4-(2-methylpropoxy)pyrimidine?
The IUPAC name of 2-chloro-5-fluoro-4-(2-methylpropoxy)pyrimidine (CID 79081313) is 2-chloro-5-fluoro-4-(2-methylpropoxy)pyrimidine.
What is the SMILES notation for 2-chloro-5-fluoro-4-(2-methylpropoxy)pyrimidine?
The canonical SMILES for 2-chloro-5-fluoro-4-(2-methylpropoxy)pyrimidine is CC(C)COc1nc(Cl)ncc1F.
What is the InChIKey of 2-chloro-5-fluoro-4-(2-methylpropoxy)pyrimidine?
The InChIKey is BYGAEQWTJICAMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClFN2O/c1-5(2)4-13-7-6(10)3-11-8(9)12-7/h3,5H,4H2,1-2H3.
What are the key properties of 2-chloro-5-fluoro-4-(2-methylpropoxy)pyrimidine?
2-chloro-5-fluoro-4-(2-methylpropoxy)pyrimidine has a molecular weight of 204.63 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-4-(2-methylpropoxy)pyrimidine is sourced from PubChem (CID 79081313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).