4-chloro-6-(2-fluoro-3-methoxyphenyl)-5-propan-2-ylpyrimidine

C14H14ClFN2O — CID 82810915

IUPAC4-chloro-6-(2-fluoro-3-methoxyphenyl)-5-propan-2-ylpyrimidine
SMILESCOc1cccc(-c2ncnc(Cl)c2C(C)C)c1F
InChIInChI=1S/C14H14ClFN2O/c1-8(2)11-13(17-7-18-14(11)15)9-5-4-6-10(19-3)12(9)16/h4-8H,1-3H3
InChIKeyKLMHUGPDDUDFKT-UHFFFAOYSA-N
MW280.73 g/mol
LogP4.07
Rot. Bonds3

About 4-chloro-6-(2-fluoro-3-methoxyphenyl)-5-propan-2-ylpyrimidine

4-chloro-6-(2-fluoro-3-methoxyphenyl)-5-propan-2-ylpyrimidine (PubChem CID 82810915) has the molecular formula C14H14ClFN2O and a molecular weight of 280.73 g/mol. Its IUPAC name is 4-chloro-6-(2-fluoro-3-methoxyphenyl)-5-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(2-fluoro-3-methoxyphenyl)-5-propan-2-ylpyrimidine
PubChem CID82810915
Molecular FormulaC14H14ClFN2O
Molecular Weight280.73 g/mol
Exact Mass280.08
IUPAC Name4-chloro-6-(2-fluoro-3-methoxyphenyl)-5-propan-2-ylpyrimidine
SMILESCOc1cccc(-c2ncnc(Cl)c2C(C)C)c1F
InChIInChI=1S/C14H14ClFN2O/c1-8(2)11-13(17-7-18-14(11)15)9-5-4-6-10(19-3)12(9)16/h4-8H,1-3H3
InChIKeyKLMHUGPDDUDFKT-UHFFFAOYSA-N
XLogP4.07
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.73
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-6-(2-chloro-4-fluorophenyl)-5-propan-2-ylpyrimidine
CID 113324916
4-chloro-6-(2,6-dimethoxyphenoxy)-5-propan-2-ylpyrimidine
CID 63736223
4-chloro-6-(2-fluoro-3-methoxyphenyl)-2,5-dimethylpyrimidine
CID 82811061
3-(2-fluoro-3-methoxyphenyl)-N-methylpyrazin-2-amine
CID 82810797
N-ethyl-6-(2-fluoro-3-methoxyphenyl)-5-propylpyrimidin-4-amine
CID 82793042
5-fluoro-2-(2-fluoro-3-methoxyphenyl)pyridine
CID 50961650
4-(2-fluoro-3-methoxyphenyl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one
CID 136769851
1-[3-(2-fluoro-3-methoxyphenyl)phenyl]ethanamine
CID 82812526
4-chloro-6-(2,6-dimethoxyphenyl)pyrimidine-5-carbaldehyde
CID 116811180
1,2,3-trichloro-5-(2-fluoro-3-methoxyphenyl)benzene
CID 134620248
4-chloro-6-(4-fluorophenoxy)-5-propan-2-ylpyrimidine
CID 63734173
4-chloro-6-(2-fluoro-3-methoxyphenyl)-2-methylpyrimidine
CID 82812450

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(2-fluoro-3-methoxyphenyl)-5-propan-2-ylpyrimidine?
The IUPAC name of 4-chloro-6-(2-fluoro-3-methoxyphenyl)-5-propan-2-ylpyrimidine (CID 82810915) is 4-chloro-6-(2-fluoro-3-methoxyphenyl)-5-propan-2-ylpyrimidine.
What is the SMILES notation for 4-chloro-6-(2-fluoro-3-methoxyphenyl)-5-propan-2-ylpyrimidine?
The canonical SMILES for 4-chloro-6-(2-fluoro-3-methoxyphenyl)-5-propan-2-ylpyrimidine is COc1cccc(-c2ncnc(Cl)c2C(C)C)c1F.
What is the InChIKey of 4-chloro-6-(2-fluoro-3-methoxyphenyl)-5-propan-2-ylpyrimidine?
The InChIKey is KLMHUGPDDUDFKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN2O/c1-8(2)11-13(17-7-18-14(11)15)9-5-4-6-10(19-3)12(9)16/h4-8H,1-3H3.
What are the key properties of 4-chloro-6-(2-fluoro-3-methoxyphenyl)-5-propan-2-ylpyrimidine?
4-chloro-6-(2-fluoro-3-methoxyphenyl)-5-propan-2-ylpyrimidine has a molecular weight of 280.73 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(2-fluoro-3-methoxyphenyl)-5-propan-2-ylpyrimidine is sourced from PubChem (CID 82810915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).