4-chloro-6-(2-fluoro-3-methoxyphenyl)-2-methylpyrimidine

C12H10ClFN2O — CID 82812450

IUPAC4-chloro-6-(2-fluoro-3-methoxyphenyl)-2-methylpyrimidine
SMILESCOc1cccc(-c2cc(Cl)nc(C)n2)c1F
InChIInChI=1S/C12H10ClFN2O/c1-7-15-9(6-11(13)16-7)8-4-3-5-10(17-2)12(8)14/h3-6H,1-2H3
InChIKeyUYEQLEMVUQOVKY-UHFFFAOYSA-N
MW252.68 g/mol
LogP3.25
Rot. Bonds2

About 4-chloro-6-(2-fluoro-3-methoxyphenyl)-2-methylpyrimidine

4-chloro-6-(2-fluoro-3-methoxyphenyl)-2-methylpyrimidine (PubChem CID 82812450) has the molecular formula C12H10ClFN2O and a molecular weight of 252.68 g/mol. Its IUPAC name is 4-chloro-6-(2-fluoro-3-methoxyphenyl)-2-methylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(2-fluoro-3-methoxyphenyl)-2-methylpyrimidine
PubChem CID82812450
Molecular FormulaC12H10ClFN2O
Molecular Weight252.68 g/mol
Exact Mass252.05
IUPAC Name4-chloro-6-(2-fluoro-3-methoxyphenyl)-2-methylpyrimidine
SMILESCOc1cccc(-c2cc(Cl)nc(C)n2)c1F
InChIInChI=1S/C12H10ClFN2O/c1-7-15-9(6-11(13)16-7)8-4-3-5-10(17-2)12(8)14/h3-6H,1-2H3
InChIKeyUYEQLEMVUQOVKY-UHFFFAOYSA-N
XLogP3.25
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.68
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-(2-fluoro-3-methoxyphenyl)-2-methylpyrimidin-4-amine
CID 82811355
4-chloro-6-(2,3-difluorophenyl)-2-methylpyrimidine
CID 22599696
4-chloro-6-(2-fluoro-3-methoxyphenyl)-2,5-dimethylpyrimidine
CID 82811061
3-chloro-5-(2-fluoro-3-methoxyphenyl)-1H-pyridazin-6-one
CID 106520555
3-chloro-5-(2-fluoro-3-methoxyphenyl)-1H-pyridazine-6-thione
CID 106520541
6-(2-fluoro-3-methoxyphenyl)-2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine
CID 123676574
6-(2-fluoro-3-methoxyphenyl)-2-propan-2-ylpyrimidin-4-amine
CID 82811627
4-(2-fluoro-3-methoxyphenyl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114563487
5-fluoro-2-(2-fluoro-3-methoxyphenyl)pyridine
CID 50961650
1,2,3-trichloro-5-(2-fluoro-3-methoxyphenyl)benzene
CID 134620248
4-(2-fluoro-3-methoxyphenyl)pyrimidin-2-amine
CID 82812333
6-(2-fluoro-3-methoxyphenyl)-N-methylpyridin-2-amine
CID 82812009

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(2-fluoro-3-methoxyphenyl)-2-methylpyrimidine?
The IUPAC name of 4-chloro-6-(2-fluoro-3-methoxyphenyl)-2-methylpyrimidine (CID 82812450) is 4-chloro-6-(2-fluoro-3-methoxyphenyl)-2-methylpyrimidine.
What is the SMILES notation for 4-chloro-6-(2-fluoro-3-methoxyphenyl)-2-methylpyrimidine?
The canonical SMILES for 4-chloro-6-(2-fluoro-3-methoxyphenyl)-2-methylpyrimidine is COc1cccc(-c2cc(Cl)nc(C)n2)c1F.
What is the InChIKey of 4-chloro-6-(2-fluoro-3-methoxyphenyl)-2-methylpyrimidine?
The InChIKey is UYEQLEMVUQOVKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFN2O/c1-7-15-9(6-11(13)16-7)8-4-3-5-10(17-2)12(8)14/h3-6H,1-2H3.
What are the key properties of 4-chloro-6-(2-fluoro-3-methoxyphenyl)-2-methylpyrimidine?
4-chloro-6-(2-fluoro-3-methoxyphenyl)-2-methylpyrimidine has a molecular weight of 252.68 g/mol, XLogP of 3.25, 2 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)-2-methylpyrimidine is sourced from PubChem (CID 82812450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).