6-(2-chloro-5-fluorophenyl)-N,5-diethylpyrimidin-4-amine

C14H15ClFN3 — CID 105396085

IUPAC6-(2-chloro-5-fluorophenyl)-N,5-diethylpyrimidin-4-amine
SMILESCCNc1ncnc(-c2cc(F)ccc2Cl)c1CC
InChIInChI=1S/C14H15ClFN3/c1-3-10-13(18-8-19-14(10)17-4-2)11-7-9(16)5-6-12(11)15/h5-8H,3-4H2,1-2H3,(H,17,18,19)
InChIKeyGRUVBHFFXQZTRP-UHFFFAOYSA-N
MW279.75 g/mol
LogP3.93
Rot. Bonds4

About 6-(2-chloro-5-fluorophenyl)-N,5-diethylpyrimidin-4-amine

6-(2-chloro-5-fluorophenyl)-N,5-diethylpyrimidin-4-amine (PubChem CID 105396085) has the molecular formula C14H15ClFN3 and a molecular weight of 279.75 g/mol. Its IUPAC name is 6-(2-chloro-5-fluorophenyl)-N,5-diethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-chloro-5-fluorophenyl)-N,5-diethylpyrimidin-4-amine
PubChem CID105396085
Molecular FormulaC14H15ClFN3
Molecular Weight279.75 g/mol
Exact Mass279.09
IUPAC Name6-(2-chloro-5-fluorophenyl)-N,5-diethylpyrimidin-4-amine
SMILESCCNc1ncnc(-c2cc(F)ccc2Cl)c1CC
InChIInChI=1S/C14H15ClFN3/c1-3-10-13(18-8-19-14(10)17-4-2)11-7-9(16)5-6-12(11)15/h5-8H,3-4H2,1-2H3,(H,17,18,19)
InChIKeyGRUVBHFFXQZTRP-UHFFFAOYSA-N
XLogP3.93
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.75
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,5-diethyl-6-(5-fluoro-1-benzofuran-2-yl)pyrimidin-4-amine
CID 114734804
6-(2-chloro-5-fluorophenyl)-5-nitro-N-propylpyrimidin-4-amine
CID 105396181
6-(3,5-dichlorophenyl)-N,5-diethylpyrimidin-4-amine
CID 114879384
6-(3-bromo-2-fluorophenyl)-N,5-diethylpyrimidin-4-amine
CID 106646886
4-N-(2,5-difluorophenyl)-6-N,5-diethylpyrimidine-4,6-diamine
CID 80759222
6-(2-chloro-4-fluorophenoxy)-N-ethyl-5-propylpyrimidin-4-amine
CID 80864915
6-(2-chloro-5-fluorophenyl)-5-methylpyrimidin-4-amine
CID 105396086
4-chloro-6-(2-chloro-4-fluorophenyl)-5-propylpyrimidine
CID 113324911
3-(2-chloro-5-fluorophenyl)-N-methylpyrazin-2-amine
CID 105396110
N-ethyl-6-(2-fluoro-3-methoxyphenyl)-5-propylpyrimidin-4-amine
CID 82793042
6-(2-chloro-5-fluorophenyl)-N-ethylpyrazin-2-amine
CID 105396176
4-N-(2,5-difluorophenyl)-6-N-ethyl-5-propylpyrimidine-4,6-diamine
CID 80748963

Frequently Asked Questions

What is the IUPAC name of 6-(2-chloro-5-fluorophenyl)-N,5-diethylpyrimidin-4-amine?
The IUPAC name of 6-(2-chloro-5-fluorophenyl)-N,5-diethylpyrimidin-4-amine (CID 105396085) is 6-(2-chloro-5-fluorophenyl)-N,5-diethylpyrimidin-4-amine.
What is the SMILES notation for 6-(2-chloro-5-fluorophenyl)-N,5-diethylpyrimidin-4-amine?
The canonical SMILES for 6-(2-chloro-5-fluorophenyl)-N,5-diethylpyrimidin-4-amine is CCNc1ncnc(-c2cc(F)ccc2Cl)c1CC.
What is the InChIKey of 6-(2-chloro-5-fluorophenyl)-N,5-diethylpyrimidin-4-amine?
The InChIKey is GRUVBHFFXQZTRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFN3/c1-3-10-13(18-8-19-14(10)17-4-2)11-7-9(16)5-6-12(11)15/h5-8H,3-4H2,1-2H3,(H,17,18,19).
What are the key properties of 6-(2-chloro-5-fluorophenyl)-N,5-diethylpyrimidin-4-amine?
6-(2-chloro-5-fluorophenyl)-N,5-diethylpyrimidin-4-amine has a molecular weight of 279.75 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloro-5-fluorophenyl)-N,5-diethylpyrimidin-4-amine is sourced from PubChem (CID 105396085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).