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

C11H12BrN5 — CID 66305081

IUPAC5-bromo-N-ethyl-6-methyl-2-pyrazin-2-ylpyrimidin-4-amine
SMILESCCNc1nc(-c2cnccn2)nc(C)c1Br
InChIInChI=1S/C11H12BrN5/c1-3-14-11-9(12)7(2)16-10(17-11)8-6-13-4-5-15-8/h4-6H,3H2,1-2H3,(H,14,16,17)
InChIKeyNZXBUKQACLCMCL-UHFFFAOYSA-N
MW294.16 g/mol
LogP2.44
Rot. Bonds3

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

5-bromo-N-ethyl-6-methyl-2-pyrazin-2-ylpyrimidin-4-amine (PubChem CID 66305081) has the molecular formula C11H12BrN5 and a molecular weight of 294.16 g/mol. Its IUPAC name is 5-bromo-N-ethyl-6-methyl-2-pyrazin-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-N-ethyl-6-methyl-2-pyrazin-2-ylpyrimidin-4-amine
PubChem CID66305081
Molecular FormulaC11H12BrN5
Molecular Weight294.16 g/mol
Exact Mass293.03
IUPAC Name5-bromo-N-ethyl-6-methyl-2-pyrazin-2-ylpyrimidin-4-amine
SMILESCCNc1nc(-c2cnccn2)nc(C)c1Br
InChIInChI=1S/C11H12BrN5/c1-3-14-11-9(12)7(2)16-10(17-11)8-6-13-4-5-15-8/h4-6H,3H2,1-2H3,(H,14,16,17)
InChIKeyNZXBUKQACLCMCL-UHFFFAOYSA-N
XLogP2.44
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.16
LogP ≤ 52.44
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-methyl-2-pyrazin-2-ylpyrimidin-4-amine?
The IUPAC name of 5-bromo-N-ethyl-6-methyl-2-pyrazin-2-ylpyrimidin-4-amine (CID 66305081) is 5-bromo-N-ethyl-6-methyl-2-pyrazin-2-ylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-N-ethyl-6-methyl-2-pyrazin-2-ylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-N-ethyl-6-methyl-2-pyrazin-2-ylpyrimidin-4-amine is CCNc1nc(-c2cnccn2)nc(C)c1Br.
What is the InChIKey of 5-bromo-N-ethyl-6-methyl-2-pyrazin-2-ylpyrimidin-4-amine?
The InChIKey is NZXBUKQACLCMCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN5/c1-3-14-11-9(12)7(2)16-10(17-11)8-6-13-4-5-15-8/h4-6H,3H2,1-2H3,(H,14,16,17).
What are the key properties of 5-bromo-N-ethyl-6-methyl-2-pyrazin-2-ylpyrimidin-4-amine?
5-bromo-N-ethyl-6-methyl-2-pyrazin-2-ylpyrimidin-4-amine has a molecular weight of 294.16 g/mol, XLogP of 2.44, 3 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-methyl-2-pyrazin-2-ylpyrimidin-4-amine is sourced from PubChem (CID 66305081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).