2-chloro-N-(4-fluoro-2-methylphenyl)-5-methoxypyrimidin-4-amine

C12H11ClFN3O — CID 144841186

IUPAC2-chloro-N-(4-fluoro-2-methylphenyl)-5-methoxypyrimidin-4-amine
SMILESCOc1cnc(Cl)nc1Nc1ccc(F)cc1C
InChIInChI=1S/C12H11ClFN3O/c1-7-5-8(14)3-4-9(7)16-11-10(18-2)6-15-12(13)17-11/h3-6H,1-2H3,(H,15,16,17)
InChIKeyMRZPEDGOFNCGOF-UHFFFAOYSA-N
MW267.69 g/mol
LogP3.33
Rot. Bonds3

About 2-chloro-N-(4-fluoro-2-methylphenyl)-5-methoxypyrimidin-4-amine

2-chloro-N-(4-fluoro-2-methylphenyl)-5-methoxypyrimidin-4-amine (PubChem CID 144841186) has the molecular formula C12H11ClFN3O and a molecular weight of 267.69 g/mol. Its IUPAC name is 2-chloro-N-(4-fluoro-2-methylphenyl)-5-methoxypyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(4-fluoro-2-methylphenyl)-5-methoxypyrimidin-4-amine
PubChem CID144841186
Molecular FormulaC12H11ClFN3O
Molecular Weight267.69 g/mol
Exact Mass267.06
IUPAC Name2-chloro-N-(4-fluoro-2-methylphenyl)-5-methoxypyrimidin-4-amine
SMILESCOc1cnc(Cl)nc1Nc1ccc(F)cc1C
InChIInChI=1S/C12H11ClFN3O/c1-7-5-8(14)3-4-9(7)16-11-10(18-2)6-15-12(13)17-11/h3-6H,1-2H3,(H,15,16,17)
InChIKeyMRZPEDGOFNCGOF-UHFFFAOYSA-N
XLogP3.33
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.69
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-fluoro-2-methylphenyl)-5-methoxypyrimidin-4-amine?
The IUPAC name of 2-chloro-N-(4-fluoro-2-methylphenyl)-5-methoxypyrimidin-4-amine (CID 144841186) is 2-chloro-N-(4-fluoro-2-methylphenyl)-5-methoxypyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-(4-fluoro-2-methylphenyl)-5-methoxypyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-(4-fluoro-2-methylphenyl)-5-methoxypyrimidin-4-amine is COc1cnc(Cl)nc1Nc1ccc(F)cc1C.
What is the InChIKey of 2-chloro-N-(4-fluoro-2-methylphenyl)-5-methoxypyrimidin-4-amine?
The InChIKey is MRZPEDGOFNCGOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFN3O/c1-7-5-8(14)3-4-9(7)16-11-10(18-2)6-15-12(13)17-11/h3-6H,1-2H3,(H,15,16,17).
What are the key properties of 2-chloro-N-(4-fluoro-2-methylphenyl)-5-methoxypyrimidin-4-amine?
2-chloro-N-(4-fluoro-2-methylphenyl)-5-methoxypyrimidin-4-amine has a molecular weight of 267.69 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-fluoro-2-methylphenyl)-5-methoxypyrimidin-4-amine is sourced from PubChem (CID 144841186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).