2-(3-bromo-5-fluorophenyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine

C14H15BrFN3 — CID 66423893

IUPAC2-(3-bromo-5-fluorophenyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine
SMILESCCc1c(C)nc(-c2cc(F)cc(Br)c2)nc1NC
InChIInChI=1S/C14H15BrFN3/c1-4-12-8(2)18-13(19-14(12)17-3)9-5-10(15)7-11(16)6-9/h5-7H,4H2,1-3H3,(H,17,18,19)
InChIKeyFCUWJCTWIJACLT-UHFFFAOYSA-N
MW324.20 g/mol
LogP3.96
Rot. Bonds3

About 2-(3-bromo-5-fluorophenyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine

2-(3-bromo-5-fluorophenyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine (PubChem CID 66423893) has the molecular formula C14H15BrFN3 and a molecular weight of 324.20 g/mol. Its IUPAC name is 2-(3-bromo-5-fluorophenyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(3-bromo-5-fluorophenyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine
PubChem CID66423893
Molecular FormulaC14H15BrFN3
Molecular Weight324.20 g/mol
Exact Mass323.04
IUPAC Name2-(3-bromo-5-fluorophenyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine
SMILESCCc1c(C)nc(-c2cc(F)cc(Br)c2)nc1NC
InChIInChI=1S/C14H15BrFN3/c1-4-12-8(2)18-13(19-14(12)17-3)9-5-10(15)7-11(16)6-9/h5-7H,4H2,1-3H3,(H,17,18,19)
InChIKeyFCUWJCTWIJACLT-UHFFFAOYSA-N
XLogP3.96
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.20
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-ethyl-N,6-dimethyl-2-(3,4,5-trifluorophenyl)pyrimidin-4-amine
CID 62191599
2-(4-bromo-3-methylphenyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine
CID 66481275
N-[[2-(3-bromo-5-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]methyl]propan-2-amine
CID 66424703
[2-(3-bromo-5-fluorophenyl)-5-fluoro-6-methylpyrimidin-4-yl]hydrazine
CID 66424697
2-(3,5-difluorophenyl)-6-ethyl-N,5-dimethylpyrimidin-4-amine
CID 63562473
2-(3,4-dichlorophenyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine
CID 55191562
2-(3-bromo-5-fluorophenyl)-4-chloro-5,6-dimethylpyrimidine
CID 66426213
2-(3-bromo-5-fluorophenyl)-6-ethyl-5-methylpyrimidin-4-amine
CID 66426085
N,5-diethyl-2-(4-fluorophenyl)-6-methylpyrimidin-4-amine
CID 62192315
2-(2-bromo-5-chlorophenyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine
CID 66160720
2-(3-bromo-5-fluorophenyl)-5-iodo-6-methylpyrimidin-4-amine
CID 66423699
5-ethyl-2-[(4-fluorophenyl)methyl]-N,6-dimethylpyrimidin-4-amine
CID 62191963

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-fluorophenyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine?
The IUPAC name of 2-(3-bromo-5-fluorophenyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine (CID 66423893) is 2-(3-bromo-5-fluorophenyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for 2-(3-bromo-5-fluorophenyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine?
The canonical SMILES for 2-(3-bromo-5-fluorophenyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine is CCc1c(C)nc(-c2cc(F)cc(Br)c2)nc1NC.
What is the InChIKey of 2-(3-bromo-5-fluorophenyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine?
The InChIKey is FCUWJCTWIJACLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrFN3/c1-4-12-8(2)18-13(19-14(12)17-3)9-5-10(15)7-11(16)6-9/h5-7H,4H2,1-3H3,(H,17,18,19).
What are the key properties of 2-(3-bromo-5-fluorophenyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine?
2-(3-bromo-5-fluorophenyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine has a molecular weight of 324.20 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-fluorophenyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 66423893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).