5-bromo-N-ethyl-6-propyl-2-pyrazin-2-ylpyrimidin-4-amine

C13H16BrN5 — CID 66305962

IUPAC5-bromo-N-ethyl-6-propyl-2-pyrazin-2-ylpyrimidin-4-amine
SMILESCCCc1nc(-c2cnccn2)nc(NCC)c1Br
InChIInChI=1S/C13H16BrN5/c1-3-5-9-11(14)13(16-4-2)19-12(18-9)10-8-15-6-7-17-10/h6-8H,3-5H2,1-2H3,(H,16,18,19)
InChIKeyMXGRBADFBXHKFH-UHFFFAOYSA-N
MW322.21 g/mol
LogP3.08
Rot. Bonds5

About 5-bromo-N-ethyl-6-propyl-2-pyrazin-2-ylpyrimidin-4-amine

5-bromo-N-ethyl-6-propyl-2-pyrazin-2-ylpyrimidin-4-amine (PubChem CID 66305962) has the molecular formula C13H16BrN5 and a molecular weight of 322.21 g/mol. Its IUPAC name is 5-bromo-N-ethyl-6-propyl-2-pyrazin-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-N-ethyl-6-propyl-2-pyrazin-2-ylpyrimidin-4-amine
PubChem CID66305962
Molecular FormulaC13H16BrN5
Molecular Weight322.21 g/mol
Exact Mass321.06
IUPAC Name5-bromo-N-ethyl-6-propyl-2-pyrazin-2-ylpyrimidin-4-amine
SMILESCCCc1nc(-c2cnccn2)nc(NCC)c1Br
InChIInChI=1S/C13H16BrN5/c1-3-5-9-11(14)13(16-4-2)19-12(18-9)10-8-15-6-7-17-10/h6-8H,3-5H2,1-2H3,(H,16,18,19)
InChIKeyMXGRBADFBXHKFH-UHFFFAOYSA-N
XLogP3.08
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.21
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-ethyl-6-propyl-2-pyrazin-2-ylpyrimidin-4-amine?
The IUPAC name of 5-bromo-N-ethyl-6-propyl-2-pyrazin-2-ylpyrimidin-4-amine (CID 66305962) is 5-bromo-N-ethyl-6-propyl-2-pyrazin-2-ylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-N-ethyl-6-propyl-2-pyrazin-2-ylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-N-ethyl-6-propyl-2-pyrazin-2-ylpyrimidin-4-amine is CCCc1nc(-c2cnccn2)nc(NCC)c1Br.
What is the InChIKey of 5-bromo-N-ethyl-6-propyl-2-pyrazin-2-ylpyrimidin-4-amine?
The InChIKey is MXGRBADFBXHKFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN5/c1-3-5-9-11(14)13(16-4-2)19-12(18-9)10-8-15-6-7-17-10/h6-8H,3-5H2,1-2H3,(H,16,18,19).
What are the key properties of 5-bromo-N-ethyl-6-propyl-2-pyrazin-2-ylpyrimidin-4-amine?
5-bromo-N-ethyl-6-propyl-2-pyrazin-2-ylpyrimidin-4-amine has a molecular weight of 322.21 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-ethyl-6-propyl-2-pyrazin-2-ylpyrimidin-4-amine is sourced from PubChem (CID 66305962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).