4,6-dichloro-2-[(4-fluoro-2-methyl-2,3-dihydro-1H-inden-5-yl)oxy]pyrimidine

C14H11Cl2FN2O — CID 159953605

IUPAC4,6-dichloro-2-[(4-fluoro-2-methyl-2,3-dihydro-1H-inden-5-yl)oxy]pyrimidine
SMILESCC1Cc2ccc(Oc3nc(Cl)cc(Cl)n3)c(F)c2C1
InChIInChI=1S/C14H11Cl2FN2O/c1-7-4-8-2-3-10(13(17)9(8)5-7)20-14-18-11(15)6-12(16)19-14/h2-3,6-7H,4-5H2,1H3
InChIKeyOCKUKJYCGGDLOX-UHFFFAOYSA-N
MW313.16 g/mol
LogP4.45
Rot. Bonds2

About 4,6-dichloro-2-[(4-fluoro-2-methyl-2,3-dihydro-1H-inden-5-yl)oxy]pyrimidine

4,6-dichloro-2-[(4-fluoro-2-methyl-2,3-dihydro-1H-inden-5-yl)oxy]pyrimidine (PubChem CID 159953605) has the molecular formula C14H11Cl2FN2O and a molecular weight of 313.16 g/mol. Its IUPAC name is 4,6-dichloro-2-[(4-fluoro-2-methyl-2,3-dihydro-1H-inden-5-yl)oxy]pyrimidine.

Molecular Properties

Compound Name4,6-dichloro-2-[(4-fluoro-2-methyl-2,3-dihydro-1H-inden-5-yl)oxy]pyrimidine
PubChem CID159953605
Molecular FormulaC14H11Cl2FN2O
Molecular Weight313.16 g/mol
Exact Mass312.02
IUPAC Name4,6-dichloro-2-[(4-fluoro-2-methyl-2,3-dihydro-1H-inden-5-yl)oxy]pyrimidine
SMILESCC1Cc2ccc(Oc3nc(Cl)cc(Cl)n3)c(F)c2C1
InChIInChI=1S/C14H11Cl2FN2O/c1-7-4-8-2-3-10(13(17)9(8)5-7)20-14-18-11(15)6-12(16)19-14/h2-3,6-7H,4-5H2,1H3
InChIKeyOCKUKJYCGGDLOX-UHFFFAOYSA-N
XLogP4.45
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.16
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4,6-dichloro-2-[(4-fluoro-2-methyl-2,3-dihydro-1H-inden-5-yl)oxy]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Chloro-6-(4-propyl-phenoxy)-pyrimidin-2-ylamine
CID 702419
4-chloro-6-(2,3-dimethylphenoxy)-N,N-dimethylpyrimidin-2-amine
CID 13413744
4-Chloro-6-[2-methyl-5-(propan-2-YL)phenoxy]pyrimidin-2-amine
CID 3572121
Pyrimidin-2-amine, 4-fluoro-6-(3,4-dimethylphenoxy)-
CID 590362
4,6-Dichloro-2-[3-(trifluoromethyl)phenoxy]pyrimidine
CID 19690796
4,5,6-Trichloro-2-(2-fluoro-3-methyl-6-propan-2-ylphenoxy)pyrimidine
CID 87513328
4,6-dichloro-2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidine
CID 149465213
6-chloro-N-(3-cyclopropyl-2H-pyrrol-5-yl)-2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-4-amine
CID 149526473
4-chloro-6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidine
CID 158041983
4-chloro-5-fluoro-6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidine
CID 158089950
4,6-dichloro-2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidine
CID 159195493
4,5-dichloro-6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidine
CID 159377134

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-2-[(4-fluoro-2-methyl-2,3-dihydro-1H-inden-5-yl)oxy]pyrimidine?
The IUPAC name of 4,6-dichloro-2-[(4-fluoro-2-methyl-2,3-dihydro-1H-inden-5-yl)oxy]pyrimidine (CID 159953605) is 4,6-dichloro-2-[(4-fluoro-2-methyl-2,3-dihydro-1H-inden-5-yl)oxy]pyrimidine.
What is the SMILES notation for 4,6-dichloro-2-[(4-fluoro-2-methyl-2,3-dihydro-1H-inden-5-yl)oxy]pyrimidine?
The canonical SMILES for 4,6-dichloro-2-[(4-fluoro-2-methyl-2,3-dihydro-1H-inden-5-yl)oxy]pyrimidine is CC1Cc2ccc(Oc3nc(Cl)cc(Cl)n3)c(F)c2C1.
What is the InChIKey of 4,6-dichloro-2-[(4-fluoro-2-methyl-2,3-dihydro-1H-inden-5-yl)oxy]pyrimidine?
The InChIKey is OCKUKJYCGGDLOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2FN2O/c1-7-4-8-2-3-10(13(17)9(8)5-7)20-14-18-11(15)6-12(16)19-14/h2-3,6-7H,4-5H2,1H3.
What are the key properties of 4,6-dichloro-2-[(4-fluoro-2-methyl-2,3-dihydro-1H-inden-5-yl)oxy]pyrimidine?
4,6-dichloro-2-[(4-fluoro-2-methyl-2,3-dihydro-1H-inden-5-yl)oxy]pyrimidine has a molecular weight of 313.16 g/mol, XLogP of 4.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2-[(4-fluoro-2-methyl-2,3-dihydro-1H-inden-5-yl)oxy]pyrimidine is sourced from PubChem (CID 159953605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).