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

C10H10BrN5 — CID 66298641

IUPAC5-bromo-6-ethyl-2-pyrazin-2-ylpyrimidin-4-amine
SMILESCCc1nc(-c2cnccn2)nc(N)c1Br
InChIInChI=1S/C10H10BrN5/c1-2-6-8(11)9(12)16-10(15-6)7-5-13-3-4-14-7/h3-5H,2H2,1H3,(H2,12,15,16)
InChIKeyMKSPDFKJPAXGRU-UHFFFAOYSA-N
MW280.13 g/mol
LogP1.84
Rot. Bonds2

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

5-bromo-6-ethyl-2-pyrazin-2-ylpyrimidin-4-amine (PubChem CID 66298641) has the molecular formula C10H10BrN5 and a molecular weight of 280.13 g/mol. Its IUPAC name is 5-bromo-6-ethyl-2-pyrazin-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-6-ethyl-2-pyrazin-2-ylpyrimidin-4-amine
PubChem CID66298641
Molecular FormulaC10H10BrN5
Molecular Weight280.13 g/mol
Exact Mass279.01
IUPAC Name5-bromo-6-ethyl-2-pyrazin-2-ylpyrimidin-4-amine
SMILESCCc1nc(-c2cnccn2)nc(N)c1Br
InChIInChI=1S/C10H10BrN5/c1-2-6-8(11)9(12)16-10(15-6)7-5-13-3-4-14-7/h3-5H,2H2,1H3,(H2,12,15,16)
InChIKeyMKSPDFKJPAXGRU-UHFFFAOYSA-N
XLogP1.84
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.13
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-ethyl-2-pyrazin-2-ylpyrimidin-4-amine?
The IUPAC name of 5-bromo-6-ethyl-2-pyrazin-2-ylpyrimidin-4-amine (CID 66298641) is 5-bromo-6-ethyl-2-pyrazin-2-ylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-6-ethyl-2-pyrazin-2-ylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-6-ethyl-2-pyrazin-2-ylpyrimidin-4-amine is CCc1nc(-c2cnccn2)nc(N)c1Br.
What is the InChIKey of 5-bromo-6-ethyl-2-pyrazin-2-ylpyrimidin-4-amine?
The InChIKey is MKSPDFKJPAXGRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN5/c1-2-6-8(11)9(12)16-10(15-6)7-5-13-3-4-14-7/h3-5H,2H2,1H3,(H2,12,15,16).
What are the key properties of 5-bromo-6-ethyl-2-pyrazin-2-ylpyrimidin-4-amine?
5-bromo-6-ethyl-2-pyrazin-2-ylpyrimidin-4-amine has a molecular weight of 280.13 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-ethyl-2-pyrazin-2-ylpyrimidin-4-amine is sourced from PubChem (CID 66298641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).