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

C10H12ClFN2O — CID 66000235

IUPAC4-chloro-5-fluoro-6-methyl-2-(oxolan-2-ylmethyl)pyrimidine
SMILESCc1nc(CC2CCCO2)nc(Cl)c1F
InChIInChI=1S/C10H12ClFN2O/c1-6-9(12)10(11)14-8(13-6)5-7-3-2-4-15-7/h7H,2-5H2,1H3
InChIKeyOYYHBCMGVPFKTR-UHFFFAOYSA-N
MW230.67 g/mol
LogP2.30
Rot. Bonds2

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

4-chloro-5-fluoro-6-methyl-2-(oxolan-2-ylmethyl)pyrimidine (PubChem CID 66000235) 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-(oxolan-2-ylmethyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-5-fluoro-6-methyl-2-(oxolan-2-ylmethyl)pyrimidine
PubChem CID66000235
Molecular FormulaC10H12ClFN2O
Molecular Weight230.67 g/mol
Exact Mass230.06
IUPAC Name4-chloro-5-fluoro-6-methyl-2-(oxolan-2-ylmethyl)pyrimidine
SMILESCc1nc(CC2CCCO2)nc(Cl)c1F
InChIInChI=1S/C10H12ClFN2O/c1-6-9(12)10(11)14-8(13-6)5-7-3-2-4-15-7/h7H,2-5H2,1H3
InChIKeyOYYHBCMGVPFKTR-UHFFFAOYSA-N
XLogP2.30
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.67
LogP ≤ 52.30
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-ylmethyl)pyrimidine?
The IUPAC name of 4-chloro-5-fluoro-6-methyl-2-(oxolan-2-ylmethyl)pyrimidine (CID 66000235) is 4-chloro-5-fluoro-6-methyl-2-(oxolan-2-ylmethyl)pyrimidine.
What is the SMILES notation for 4-chloro-5-fluoro-6-methyl-2-(oxolan-2-ylmethyl)pyrimidine?
The canonical SMILES for 4-chloro-5-fluoro-6-methyl-2-(oxolan-2-ylmethyl)pyrimidine is Cc1nc(CC2CCCO2)nc(Cl)c1F.
What is the InChIKey of 4-chloro-5-fluoro-6-methyl-2-(oxolan-2-ylmethyl)pyrimidine?
The InChIKey is OYYHBCMGVPFKTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClFN2O/c1-6-9(12)10(11)14-8(13-6)5-7-3-2-4-15-7/h7H,2-5H2,1H3.
What are the key properties of 4-chloro-5-fluoro-6-methyl-2-(oxolan-2-ylmethyl)pyrimidine?
4-chloro-5-fluoro-6-methyl-2-(oxolan-2-ylmethyl)pyrimidine has a molecular weight of 230.67 g/mol, XLogP of 2.30, 2 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-ylmethyl)pyrimidine is sourced from PubChem (CID 66000235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).