2-chloro-5-fluoro-N-(3-fluoro-4-methylphenyl)pyrimidin-4-amine

C11H8ClF2N3 — CID 79080415

IUPAC2-chloro-5-fluoro-N-(3-fluoro-4-methylphenyl)pyrimidin-4-amine
SMILESCc1ccc(Nc2nc(Cl)ncc2F)cc1F
InChIInChI=1S/C11H8ClF2N3/c1-6-2-3-7(4-8(6)13)16-10-9(14)5-15-11(12)17-10/h2-5H,1H3,(H,15,16,17)
InChIKeyVDUFOVFRPFHCJV-UHFFFAOYSA-N
MW255.66 g/mol
LogP3.46
Rot. Bonds2

About 2-chloro-5-fluoro-N-(3-fluoro-4-methylphenyl)pyrimidin-4-amine

2-chloro-5-fluoro-N-(3-fluoro-4-methylphenyl)pyrimidin-4-amine (PubChem CID 79080415) has the molecular formula C11H8ClF2N3 and a molecular weight of 255.66 g/mol. Its IUPAC name is 2-chloro-5-fluoro-N-(3-fluoro-4-methylphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-5-fluoro-N-(3-fluoro-4-methylphenyl)pyrimidin-4-amine
PubChem CID79080415
Molecular FormulaC11H8ClF2N3
Molecular Weight255.66 g/mol
Exact Mass255.04
IUPAC Name2-chloro-5-fluoro-N-(3-fluoro-4-methylphenyl)pyrimidin-4-amine
SMILESCc1ccc(Nc2nc(Cl)ncc2F)cc1F
InChIInChI=1S/C11H8ClF2N3/c1-6-2-3-7(4-8(6)13)16-10-9(14)5-15-11(12)17-10/h2-5H,1H3,(H,15,16,17)
InChIKeyVDUFOVFRPFHCJV-UHFFFAOYSA-N
XLogP3.46
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.66
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-5-fluoro-N-naphthalen-2-ylpyrimidin-4-amine
CID 79081850
N-(4-bromo-3-chlorophenyl)-2-chloro-5-fluoropyrimidin-4-amine
CID 107614995
N-(2-chloro-5-fluoropyrimidin-4-yl)-1H-indazol-5-amine
CID 22060782
2-chloro-N-(3-ethylphenyl)-5-fluoropyrimidin-4-amine
CID 79080610
N-(2-chloro-5-fluoropyrimidin-4-yl)-8-methylquinolin-6-amine
CID 163908357
2-chloro-5-fluoro-N-(4-phenylphenyl)pyrimidin-4-amine
CID 79080683
5-[(2-chloro-5-fluoropyrimidin-4-yl)amino]isoindole-1,3-dione
CID 79081237
2-chloro-5-fluoro-N-[4-methoxy-3-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 22061152
N-(3-bromo-4-methylphenyl)-2-chloro-5-methylpyrimidin-4-amine
CID 79073488
5-bromo-2-chloro-N-(3,4-difluorophenyl)pyrimidin-4-amine
CID 79076259
2,5-dichloro-N-(3-chloro-4-fluorophenyl)pyrimidin-4-amine
CID 79632577
1-[4-[4-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-2-fluorophenyl]piperazin-1-yl]ethanone
CID 166477852

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-N-(3-fluoro-4-methylphenyl)pyrimidin-4-amine?
The IUPAC name of 2-chloro-5-fluoro-N-(3-fluoro-4-methylphenyl)pyrimidin-4-amine (CID 79080415) is 2-chloro-5-fluoro-N-(3-fluoro-4-methylphenyl)pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-5-fluoro-N-(3-fluoro-4-methylphenyl)pyrimidin-4-amine?
The canonical SMILES for 2-chloro-5-fluoro-N-(3-fluoro-4-methylphenyl)pyrimidin-4-amine is Cc1ccc(Nc2nc(Cl)ncc2F)cc1F.
What is the InChIKey of 2-chloro-5-fluoro-N-(3-fluoro-4-methylphenyl)pyrimidin-4-amine?
The InChIKey is VDUFOVFRPFHCJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClF2N3/c1-6-2-3-7(4-8(6)13)16-10-9(14)5-15-11(12)17-10/h2-5H,1H3,(H,15,16,17).
What are the key properties of 2-chloro-5-fluoro-N-(3-fluoro-4-methylphenyl)pyrimidin-4-amine?
2-chloro-5-fluoro-N-(3-fluoro-4-methylphenyl)pyrimidin-4-amine has a molecular weight of 255.66 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-N-(3-fluoro-4-methylphenyl)pyrimidin-4-amine is sourced from PubChem (CID 79080415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).