4,5-dichloro-6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidine

C14H9Cl2FN2O — CID 159377134

IUPAC4,5-dichloro-6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidine
SMILESCC1=Cc2c(ccc(Oc3ncnc(Cl)c3Cl)c2F)C1
InChIInChI=1S/C14H9Cl2FN2O/c1-7-4-8-2-3-10(12(17)9(8)5-7)20-14-11(15)13(16)18-6-19-14/h2-3,5-6H,4H2,1H3
InChIKeyLKLQGJQYNWECNJ-UHFFFAOYSA-N
MW311.14 g/mol
LogP4.67
Rot. Bonds2

About 4,5-dichloro-6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidine

4,5-dichloro-6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidine (PubChem CID 159377134) has the molecular formula C14H9Cl2FN2O and a molecular weight of 311.14 g/mol. Its IUPAC name is 4,5-dichloro-6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidine.

Molecular Properties

Compound Name4,5-dichloro-6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidine
PubChem CID159377134
Molecular FormulaC14H9Cl2FN2O
Molecular Weight311.14 g/mol
Exact Mass310.01
IUPAC Name4,5-dichloro-6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidine
SMILESCC1=Cc2c(ccc(Oc3ncnc(Cl)c3Cl)c2F)C1
InChIInChI=1S/C14H9Cl2FN2O/c1-7-4-8-2-3-10(12(17)9(8)5-7)20-14-11(15)13(16)18-6-19-14/h2-3,5-6H,4H2,1H3
InChIKeyLKLQGJQYNWECNJ-UHFFFAOYSA-N
XLogP4.67
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.14
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidine?
The IUPAC name of 4,5-dichloro-6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidine (CID 159377134) is 4,5-dichloro-6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidine.
What is the SMILES notation for 4,5-dichloro-6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidine?
The canonical SMILES for 4,5-dichloro-6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidine is CC1=Cc2c(ccc(Oc3ncnc(Cl)c3Cl)c2F)C1.
What is the InChIKey of 4,5-dichloro-6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidine?
The InChIKey is LKLQGJQYNWECNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2FN2O/c1-7-4-8-2-3-10(12(17)9(8)5-7)20-14-11(15)13(16)18-6-19-14/h2-3,5-6H,4H2,1H3.
What are the key properties of 4,5-dichloro-6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidine?
4,5-dichloro-6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidine has a molecular weight of 311.14 g/mol, XLogP of 4.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidine is sourced from PubChem (CID 159377134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).