2-(3-bromo-4-fluorophenyl)-N,6-diethylpyrimidin-4-amine

C14H15BrFN3 — CID 82800968

IUPAC2-(3-bromo-4-fluorophenyl)-N,6-diethylpyrimidin-4-amine
SMILESCCNc1cc(CC)nc(-c2ccc(F)c(Br)c2)n1
InChIInChI=1S/C14H15BrFN3/c1-3-10-8-13(17-4-2)19-14(18-10)9-5-6-12(16)11(15)7-9/h5-8H,3-4H2,1-2H3,(H,17,18,19)
InChIKeyHMSZNSYJDRJYEF-UHFFFAOYSA-N
MW324.20 g/mol
LogP4.04
Rot. Bonds4

About 2-(3-bromo-4-fluorophenyl)-N,6-diethylpyrimidin-4-amine

2-(3-bromo-4-fluorophenyl)-N,6-diethylpyrimidin-4-amine (PubChem CID 82800968) has the molecular formula C14H15BrFN3 and a molecular weight of 324.20 g/mol. Its IUPAC name is 2-(3-bromo-4-fluorophenyl)-N,6-diethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(3-bromo-4-fluorophenyl)-N,6-diethylpyrimidin-4-amine
PubChem CID82800968
Molecular FormulaC14H15BrFN3
Molecular Weight324.20 g/mol
Exact Mass323.04
IUPAC Name2-(3-bromo-4-fluorophenyl)-N,6-diethylpyrimidin-4-amine
SMILESCCNc1cc(CC)nc(-c2ccc(F)c(Br)c2)n1
InChIInChI=1S/C14H15BrFN3/c1-3-10-8-13(17-4-2)19-14(18-10)9-5-6-12(16)11(15)7-9/h5-8H,3-4H2,1-2H3,(H,17,18,19)
InChIKeyHMSZNSYJDRJYEF-UHFFFAOYSA-N
XLogP4.04
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.20
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-fluorophenyl)-N,6-diethylpyrimidin-4-amine?
The IUPAC name of 2-(3-bromo-4-fluorophenyl)-N,6-diethylpyrimidin-4-amine (CID 82800968) is 2-(3-bromo-4-fluorophenyl)-N,6-diethylpyrimidin-4-amine.
What is the SMILES notation for 2-(3-bromo-4-fluorophenyl)-N,6-diethylpyrimidin-4-amine?
The canonical SMILES for 2-(3-bromo-4-fluorophenyl)-N,6-diethylpyrimidin-4-amine is CCNc1cc(CC)nc(-c2ccc(F)c(Br)c2)n1.
What is the InChIKey of 2-(3-bromo-4-fluorophenyl)-N,6-diethylpyrimidin-4-amine?
The InChIKey is HMSZNSYJDRJYEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrFN3/c1-3-10-8-13(17-4-2)19-14(18-10)9-5-6-12(16)11(15)7-9/h5-8H,3-4H2,1-2H3,(H,17,18,19).
What are the key properties of 2-(3-bromo-4-fluorophenyl)-N,6-diethylpyrimidin-4-amine?
2-(3-bromo-4-fluorophenyl)-N,6-diethylpyrimidin-4-amine has a molecular weight of 324.20 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-fluorophenyl)-N,6-diethylpyrimidin-4-amine is sourced from PubChem (CID 82800968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).