4,6-dichloro-5-fluoro-2-(2-methyloxolan-2-yl)pyrimidine

C9H9Cl2FN2O — CID 80550254

IUPAC4,6-dichloro-5-fluoro-2-(2-methyloxolan-2-yl)pyrimidine
SMILESCC1(c2nc(Cl)c(F)c(Cl)n2)CCCO1
InChIInChI=1S/C9H9Cl2FN2O/c1-9(3-2-4-15-9)8-13-6(10)5(12)7(11)14-8/h2-4H2,1H3
InChIKeyXHITVTUDGMBPET-UHFFFAOYSA-N
MW251.09 g/mol
LogP2.95
Rot. Bonds1

About 4,6-dichloro-5-fluoro-2-(2-methyloxolan-2-yl)pyrimidine

4,6-dichloro-5-fluoro-2-(2-methyloxolan-2-yl)pyrimidine (PubChem CID 80550254) has the molecular formula C9H9Cl2FN2O and a molecular weight of 251.09 g/mol. Its IUPAC name is 4,6-dichloro-5-fluoro-2-(2-methyloxolan-2-yl)pyrimidine.

Molecular Properties

Compound Name4,6-dichloro-5-fluoro-2-(2-methyloxolan-2-yl)pyrimidine
PubChem CID80550254
Molecular FormulaC9H9Cl2FN2O
Molecular Weight251.09 g/mol
Exact Mass250.01
IUPAC Name4,6-dichloro-5-fluoro-2-(2-methyloxolan-2-yl)pyrimidine
SMILESCC1(c2nc(Cl)c(F)c(Cl)n2)CCCO1
InChIInChI=1S/C9H9Cl2FN2O/c1-9(3-2-4-15-9)8-13-6(10)5(12)7(11)14-8/h2-4H2,1H3
InChIKeyXHITVTUDGMBPET-UHFFFAOYSA-N
XLogP2.95
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.09
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-Chloro-5-fluoro-6-methyl-2-(2-methyloxolan-2-yl)pyrimidine
CID 80167120
4,6-Dichloro-5-fluoro-2-(oxan-3-yl)pyrimidine
CID 80550190
4,6-Dichloro-5-fluoro-2-(oxolan-2-yl)pyrimidine
CID 80550207
4,6-Dichloro-5-fluoro-2-(2-methoxypropan-2-yl)pyrimidine
CID 80550213
4,6-Dichloro-5-fluoro-2-(oxolan-2-ylmethyl)pyrimidine
CID 80550251
4,6-Dichloro-5-fluoro-2-(propoxymethyl)pyrimidine
CID 80550273
4,6-Dichloro-2-(1-ethoxyethyl)-5-fluoropyrimidine
CID 80550296
4,6-Dichloro-5-fluoro-2-(2-methyloxan-2-yl)pyrimidine
CID 80691378
4,6-Dichloro-5-fluoro-2-(5-methyloxolan-2-yl)pyrimidine
CID 82837510
4,6-Dichloro-5-fluoro-2-(oxolan-3-ylmethyl)pyrimidine
CID 103986077
4,6-Dichloro-5-fluoro-2-(1-methoxycyclopentyl)pyrimidine
CID 104609980
4,6-Dichloro-2-(1-ethoxy-3-methylcyclohexyl)-5-fluoropyrimidine
CID 113559709

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-5-fluoro-2-(2-methyloxolan-2-yl)pyrimidine?
The IUPAC name of 4,6-dichloro-5-fluoro-2-(2-methyloxolan-2-yl)pyrimidine (CID 80550254) is 4,6-dichloro-5-fluoro-2-(2-methyloxolan-2-yl)pyrimidine.
What is the SMILES notation for 4,6-dichloro-5-fluoro-2-(2-methyloxolan-2-yl)pyrimidine?
The canonical SMILES for 4,6-dichloro-5-fluoro-2-(2-methyloxolan-2-yl)pyrimidine is CC1(c2nc(Cl)c(F)c(Cl)n2)CCCO1.
What is the InChIKey of 4,6-dichloro-5-fluoro-2-(2-methyloxolan-2-yl)pyrimidine?
The InChIKey is XHITVTUDGMBPET-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2FN2O/c1-9(3-2-4-15-9)8-13-6(10)5(12)7(11)14-8/h2-4H2,1H3.
What are the key properties of 4,6-dichloro-5-fluoro-2-(2-methyloxolan-2-yl)pyrimidine?
4,6-dichloro-5-fluoro-2-(2-methyloxolan-2-yl)pyrimidine has a molecular weight of 251.09 g/mol, XLogP of 2.95, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-5-fluoro-2-(2-methyloxolan-2-yl)pyrimidine is sourced from PubChem (CID 80550254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).