4-chloro-5-fluoro-6-methyl-2-(oxolan-2-yl)pyrimidine

C9H10ClFN2O — CID 66000429

IUPAC4-chloro-5-fluoro-6-methyl-2-(oxolan-2-yl)pyrimidine
SMILESCc1nc(C2CCCO2)nc(Cl)c1F
InChIInChI=1S/C9H10ClFN2O/c1-5-7(11)8(10)13-9(12-5)6-3-2-4-14-6/h6H,2-4H2,1H3
InChIKeyWBKQJABRAGBUSL-UHFFFAOYSA-N
MW216.64 g/mol
LogP2.43
Rot. Bonds1

About 4-chloro-5-fluoro-6-methyl-2-(oxolan-2-yl)pyrimidine

4-chloro-5-fluoro-6-methyl-2-(oxolan-2-yl)pyrimidine (PubChem CID 66000429) has the molecular formula C9H10ClFN2O and a molecular weight of 216.64 g/mol. Its IUPAC name is 4-chloro-5-fluoro-6-methyl-2-(oxolan-2-yl)pyrimidine.

Molecular Properties

Compound Name4-chloro-5-fluoro-6-methyl-2-(oxolan-2-yl)pyrimidine
PubChem CID66000429
Molecular FormulaC9H10ClFN2O
Molecular Weight216.64 g/mol
Exact Mass216.05
IUPAC Name4-chloro-5-fluoro-6-methyl-2-(oxolan-2-yl)pyrimidine
SMILESCc1nc(C2CCCO2)nc(Cl)c1F
InChIInChI=1S/C9H10ClFN2O/c1-5-7(11)8(10)13-9(12-5)6-3-2-4-14-6/h6H,2-4H2,1H3
InChIKeyWBKQJABRAGBUSL-UHFFFAOYSA-N
XLogP2.43
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.64
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-fluoro-6-methyl-2-(oxolan-2-yl)pyrimidine?
The IUPAC name of 4-chloro-5-fluoro-6-methyl-2-(oxolan-2-yl)pyrimidine (CID 66000429) is 4-chloro-5-fluoro-6-methyl-2-(oxolan-2-yl)pyrimidine.
What is the SMILES notation for 4-chloro-5-fluoro-6-methyl-2-(oxolan-2-yl)pyrimidine?
The canonical SMILES for 4-chloro-5-fluoro-6-methyl-2-(oxolan-2-yl)pyrimidine is Cc1nc(C2CCCO2)nc(Cl)c1F.
What is the InChIKey of 4-chloro-5-fluoro-6-methyl-2-(oxolan-2-yl)pyrimidine?
The InChIKey is WBKQJABRAGBUSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClFN2O/c1-5-7(11)8(10)13-9(12-5)6-3-2-4-14-6/h6H,2-4H2,1H3.
What are the key properties of 4-chloro-5-fluoro-6-methyl-2-(oxolan-2-yl)pyrimidine?
4-chloro-5-fluoro-6-methyl-2-(oxolan-2-yl)pyrimidine has a molecular weight of 216.64 g/mol, XLogP of 2.43, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-fluoro-6-methyl-2-(oxolan-2-yl)pyrimidine is sourced from PubChem (CID 66000429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).