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

C10H12ClFN2O — CID 82837858

IUPAC4-chloro-5-fluoro-6-methyl-2-(5-methyloxolan-2-yl)pyrimidine
SMILESCc1nc(C2CCC(C)O2)nc(Cl)c1F
InChIInChI=1S/C10H12ClFN2O/c1-5-3-4-7(15-5)10-13-6(2)8(12)9(11)14-10/h5,7H,3-4H2,1-2H3
InChIKeyPSJUPUAYBUITCJ-UHFFFAOYSA-N
MW230.67 g/mol
LogP2.82
Rot. Bonds1

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

4-chloro-5-fluoro-6-methyl-2-(5-methyloxolan-2-yl)pyrimidine (PubChem CID 82837858) has the molecular formula C10H12ClFN2O and a molecular weight of 230.67 g/mol. Its IUPAC name is 4-chloro-5-fluoro-6-methyl-2-(5-methyloxolan-2-yl)pyrimidine.

Molecular Properties

Compound Name4-chloro-5-fluoro-6-methyl-2-(5-methyloxolan-2-yl)pyrimidine
PubChem CID82837858
Molecular FormulaC10H12ClFN2O
Molecular Weight230.67 g/mol
Exact Mass230.06
IUPAC Name4-chloro-5-fluoro-6-methyl-2-(5-methyloxolan-2-yl)pyrimidine
SMILESCc1nc(C2CCC(C)O2)nc(Cl)c1F
InChIInChI=1S/C10H12ClFN2O/c1-5-3-4-7(15-5)10-13-6(2)8(12)9(11)14-10/h5,7H,3-4H2,1-2H3
InChIKeyPSJUPUAYBUITCJ-UHFFFAOYSA-N
XLogP2.82
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.67
LogP ≤ 52.82
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-(5-methyloxolan-2-yl)pyrimidine?
The IUPAC name of 4-chloro-5-fluoro-6-methyl-2-(5-methyloxolan-2-yl)pyrimidine (CID 82837858) is 4-chloro-5-fluoro-6-methyl-2-(5-methyloxolan-2-yl)pyrimidine.
What is the SMILES notation for 4-chloro-5-fluoro-6-methyl-2-(5-methyloxolan-2-yl)pyrimidine?
The canonical SMILES for 4-chloro-5-fluoro-6-methyl-2-(5-methyloxolan-2-yl)pyrimidine is Cc1nc(C2CCC(C)O2)nc(Cl)c1F.
What is the InChIKey of 4-chloro-5-fluoro-6-methyl-2-(5-methyloxolan-2-yl)pyrimidine?
The InChIKey is PSJUPUAYBUITCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClFN2O/c1-5-3-4-7(15-5)10-13-6(2)8(12)9(11)14-10/h5,7H,3-4H2,1-2H3.
What are the key properties of 4-chloro-5-fluoro-6-methyl-2-(5-methyloxolan-2-yl)pyrimidine?
4-chloro-5-fluoro-6-methyl-2-(5-methyloxolan-2-yl)pyrimidine has a molecular weight of 230.67 g/mol, XLogP of 2.82, 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-(5-methyloxolan-2-yl)pyrimidine is sourced from PubChem (CID 82837858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).