5-bromo-2-(4-ethoxyphenyl)-N-ethylpyrimidin-4-amine

C14H16BrN3O — CID 66296065

IUPAC5-bromo-2-(4-ethoxyphenyl)-N-ethylpyrimidin-4-amine
SMILESCCNc1nc(-c2ccc(OCC)cc2)ncc1Br
InChIInChI=1S/C14H16BrN3O/c1-3-16-14-12(15)9-17-13(18-14)10-5-7-11(8-6-10)19-4-2/h5-9H,3-4H2,1-2H3,(H,16,17,18)
InChIKeyFSBZQUMEETYUQS-UHFFFAOYSA-N
MW322.21 g/mol
LogP3.74
Rot. Bonds5

About 5-bromo-2-(4-ethoxyphenyl)-N-ethylpyrimidin-4-amine

5-bromo-2-(4-ethoxyphenyl)-N-ethylpyrimidin-4-amine (PubChem CID 66296065) has the molecular formula C14H16BrN3O and a molecular weight of 322.21 g/mol. Its IUPAC name is 5-bromo-2-(4-ethoxyphenyl)-N-ethylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-(4-ethoxyphenyl)-N-ethylpyrimidin-4-amine
PubChem CID66296065
Molecular FormulaC14H16BrN3O
Molecular Weight322.21 g/mol
Exact Mass321.05
IUPAC Name5-bromo-2-(4-ethoxyphenyl)-N-ethylpyrimidin-4-amine
SMILESCCNc1nc(-c2ccc(OCC)cc2)ncc1Br
InChIInChI=1S/C14H16BrN3O/c1-3-16-14-12(15)9-17-13(18-14)10-5-7-11(8-6-10)19-4-2/h5-9H,3-4H2,1-2H3,(H,16,17,18)
InChIKeyFSBZQUMEETYUQS-UHFFFAOYSA-N
XLogP3.74
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.21
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(4-ethoxyphenyl)-N-ethylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-(4-ethoxyphenyl)-N-ethylpyrimidin-4-amine (CID 66296065) is 5-bromo-2-(4-ethoxyphenyl)-N-ethylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-(4-ethoxyphenyl)-N-ethylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-(4-ethoxyphenyl)-N-ethylpyrimidin-4-amine is CCNc1nc(-c2ccc(OCC)cc2)ncc1Br.
What is the InChIKey of 5-bromo-2-(4-ethoxyphenyl)-N-ethylpyrimidin-4-amine?
The InChIKey is FSBZQUMEETYUQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O/c1-3-16-14-12(15)9-17-13(18-14)10-5-7-11(8-6-10)19-4-2/h5-9H,3-4H2,1-2H3,(H,16,17,18).
What are the key properties of 5-bromo-2-(4-ethoxyphenyl)-N-ethylpyrimidin-4-amine?
5-bromo-2-(4-ethoxyphenyl)-N-ethylpyrimidin-4-amine has a molecular weight of 322.21 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(4-ethoxyphenyl)-N-ethylpyrimidin-4-amine is sourced from PubChem (CID 66296065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).