4-(2-chloro-3-fluorophenyl)-6-ethylpyrimidin-2-amine

C12H11ClFN3 — CID 158331637

IUPAC4-(2-chloro-3-fluorophenyl)-6-ethylpyrimidin-2-amine
SMILESCCc1cc(-c2cccc(F)c2Cl)nc(N)n1
InChIInChI=1S/C12H11ClFN3/c1-2-7-6-10(17-12(15)16-7)8-4-3-5-9(14)11(8)13/h3-6H,2H2,1H3,(H2,15,16,17)
InChIKeySYHCQMAYJDPAFH-UHFFFAOYSA-N
MW251.69 g/mol
LogP3.08
Rot. Bonds2

About 4-(2-chloro-3-fluorophenyl)-6-ethylpyrimidin-2-amine

4-(2-chloro-3-fluorophenyl)-6-ethylpyrimidin-2-amine (PubChem CID 158331637) has the molecular formula C12H11ClFN3 and a molecular weight of 251.69 g/mol. Its IUPAC name is 4-(2-chloro-3-fluorophenyl)-6-ethylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(2-chloro-3-fluorophenyl)-6-ethylpyrimidin-2-amine
PubChem CID158331637
Molecular FormulaC12H11ClFN3
Molecular Weight251.69 g/mol
Exact Mass251.06
IUPAC Name4-(2-chloro-3-fluorophenyl)-6-ethylpyrimidin-2-amine
SMILESCCc1cc(-c2cccc(F)c2Cl)nc(N)n1
InChIInChI=1S/C12H11ClFN3/c1-2-7-6-10(17-12(15)16-7)8-4-3-5-9(14)11(8)13/h3-6H,2H2,1H3,(H2,15,16,17)
InChIKeySYHCQMAYJDPAFH-UHFFFAOYSA-N
XLogP3.08
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.69
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,3-difluorophenyl)-6-ethylpyrimidin-2-amine
CID 158331636
4-(2,3-dichlorophenyl)-6-(2-methylpropyl)pyrimidin-2-amine
CID 158757005
2-(2-amino-6-ethylpyrimidin-4-yl)-4-chlorobenzonitrile
CID 159434741
4-(4-fluoronaphthalen-1-yl)-6-propylpyrimidin-2-amine
CID 15435579
4-ethyl-6-isoquinolin-4-ylpyrimidin-2-amine
CID 158107406
4-(2,3-dichlorophenyl)-6-methylpyrimidin-2-amine
CID 39796773
4-ethyl-6-[2-methyl-5-(trifluoromethyl)phenyl]pyrimidin-2-amine
CID 157068956
3-(2-chloro-3-fluorophenyl)-4-ethyl-1,2-oxazol-5-amine
CID 81454075
4-ethyl-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
CID 25164369
4-chloro-2-(3-chloro-2-fluorophenyl)-6-ethylpyrimidine
CID 114488346
1-[3-(2-chloro-3-fluorophenyl)-1,2-oxazol-5-yl]ethanol
CID 166596817
4-(4-tert-butylphenyl)-6-ethylpyrimidin-2-amine
CID 158829270

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-3-fluorophenyl)-6-ethylpyrimidin-2-amine?
The IUPAC name of 4-(2-chloro-3-fluorophenyl)-6-ethylpyrimidin-2-amine (CID 158331637) is 4-(2-chloro-3-fluorophenyl)-6-ethylpyrimidin-2-amine.
What is the SMILES notation for 4-(2-chloro-3-fluorophenyl)-6-ethylpyrimidin-2-amine?
The canonical SMILES for 4-(2-chloro-3-fluorophenyl)-6-ethylpyrimidin-2-amine is CCc1cc(-c2cccc(F)c2Cl)nc(N)n1.
What is the InChIKey of 4-(2-chloro-3-fluorophenyl)-6-ethylpyrimidin-2-amine?
The InChIKey is SYHCQMAYJDPAFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFN3/c1-2-7-6-10(17-12(15)16-7)8-4-3-5-9(14)11(8)13/h3-6H,2H2,1H3,(H2,15,16,17).
What are the key properties of 4-(2-chloro-3-fluorophenyl)-6-ethylpyrimidin-2-amine?
4-(2-chloro-3-fluorophenyl)-6-ethylpyrimidin-2-amine has a molecular weight of 251.69 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-3-fluorophenyl)-6-ethylpyrimidin-2-amine is sourced from PubChem (CID 158331637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).