2-chloro-N-(3-ethylphenyl)-5-fluoropyrimidin-4-amine

C12H11ClFN3 — CID 79080610

IUPAC2-chloro-N-(3-ethylphenyl)-5-fluoropyrimidin-4-amine
SMILESCCc1cccc(Nc2nc(Cl)ncc2F)c1
InChIInChI=1S/C12H11ClFN3/c1-2-8-4-3-5-9(6-8)16-11-10(14)7-15-12(13)17-11/h3-7H,2H2,1H3,(H,15,16,17)
InChIKeyCJZOMYNALLZXGK-UHFFFAOYSA-N
MW251.69 g/mol
LogP3.58
Rot. Bonds3

About 2-chloro-N-(3-ethylphenyl)-5-fluoropyrimidin-4-amine

2-chloro-N-(3-ethylphenyl)-5-fluoropyrimidin-4-amine (PubChem CID 79080610) has the molecular formula C12H11ClFN3 and a molecular weight of 251.69 g/mol. Its IUPAC name is 2-chloro-N-(3-ethylphenyl)-5-fluoropyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(3-ethylphenyl)-5-fluoropyrimidin-4-amine
PubChem CID79080610
Molecular FormulaC12H11ClFN3
Molecular Weight251.69 g/mol
Exact Mass251.06
IUPAC Name2-chloro-N-(3-ethylphenyl)-5-fluoropyrimidin-4-amine
SMILESCCc1cccc(Nc2nc(Cl)ncc2F)c1
InChIInChI=1S/C12H11ClFN3/c1-2-8-4-3-5-9(6-8)16-11-10(14)7-15-12(13)17-11/h3-7H,2H2,1H3,(H,15,16,17)
InChIKeyCJZOMYNALLZXGK-UHFFFAOYSA-N
XLogP3.58
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.69
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-(3-ethylphenyl)-5-fluoropyrimidine-2,4-diamine
CID 80762166
N-(3-ethylphenyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine
CID 80927980
[5-[2-[3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]phenyl]ethyl]-3-pyridinyl]carbamic acid
CID 87189179
2-chloro-5-fluoro-N-naphthalen-2-ylpyrimidin-4-amine
CID 79081850
2-chloro-5-fluoro-N-(3-fluoro-4-methylphenyl)pyrimidin-4-amine
CID 79080415
[4-[2-[3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]phenyl]ethyl]-2-pyridinyl] carbamate
CID 87196888
N-(4-bromo-3-chlorophenyl)-2-chloro-5-fluoropyrimidin-4-amine
CID 107614995
2-chloro-4-(3-ethylphenoxy)-5-fluoropyrimidine
CID 79081904
5-fluoro-4-N-[3-(methoxymethyl)phenyl]pyrimidine-2,4-diamine
CID 80802102
2-chloro-5-fluoro-N-(4-phenylphenyl)pyrimidin-4-amine
CID 79080683
2-chloro-5-fluoro-N-[(3-fluorophenyl)methyl]pyrimidin-4-amine
CID 79080713
6-chloro-2-N-(3-ethylphenyl)pyridine-2,3-diamine
CID 113316737

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-ethylphenyl)-5-fluoropyrimidin-4-amine?
The IUPAC name of 2-chloro-N-(3-ethylphenyl)-5-fluoropyrimidin-4-amine (CID 79080610) is 2-chloro-N-(3-ethylphenyl)-5-fluoropyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-(3-ethylphenyl)-5-fluoropyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-(3-ethylphenyl)-5-fluoropyrimidin-4-amine is CCc1cccc(Nc2nc(Cl)ncc2F)c1.
What is the InChIKey of 2-chloro-N-(3-ethylphenyl)-5-fluoropyrimidin-4-amine?
The InChIKey is CJZOMYNALLZXGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFN3/c1-2-8-4-3-5-9(6-8)16-11-10(14)7-15-12(13)17-11/h3-7H,2H2,1H3,(H,15,16,17).
What are the key properties of 2-chloro-N-(3-ethylphenyl)-5-fluoropyrimidin-4-amine?
2-chloro-N-(3-ethylphenyl)-5-fluoropyrimidin-4-amine has a molecular weight of 251.69 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-ethylphenyl)-5-fluoropyrimidin-4-amine is sourced from PubChem (CID 79080610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).