6-bromo-2-ethylpyrimidin-4-amine

C6H8BrN3 — CID 45094626

IUPAC6-bromo-2-ethylpyrimidin-4-amine
SMILESCCc1nc(N)cc(Br)n1
InChIInChI=1S/C6H8BrN3/c1-2-6-9-4(7)3-5(8)10-6/h3H,2H2,1H3,(H2,8,9,10)
InChIKeyBOAVHEKZVCPPMS-UHFFFAOYSA-N
MW202.06 g/mol
LogP1.38
Rot. Bonds1

About 6-bromo-2-ethylpyrimidin-4-amine

6-bromo-2-ethylpyrimidin-4-amine (PubChem CID 45094626) has the molecular formula C6H8BrN3 and a molecular weight of 202.06 g/mol. Its IUPAC name is 6-bromo-2-ethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-bromo-2-ethylpyrimidin-4-amine
PubChem CID45094626
Molecular FormulaC6H8BrN3
Molecular Weight202.06 g/mol
Exact Mass200.99
IUPAC Name6-bromo-2-ethylpyrimidin-4-amine
SMILESCCc1nc(N)cc(Br)n1
InChIInChI=1S/C6H8BrN3/c1-2-6-9-4(7)3-5(8)10-6/h3H,2H2,1H3,(H2,8,9,10)
InChIKeyBOAVHEKZVCPPMS-UHFFFAOYSA-N
XLogP1.38
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.06
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-ethylpyrimidin-4-amine?
The IUPAC name of 6-bromo-2-ethylpyrimidin-4-amine (CID 45094626) is 6-bromo-2-ethylpyrimidin-4-amine.
What is the SMILES notation for 6-bromo-2-ethylpyrimidin-4-amine?
The canonical SMILES for 6-bromo-2-ethylpyrimidin-4-amine is CCc1nc(N)cc(Br)n1.
What is the InChIKey of 6-bromo-2-ethylpyrimidin-4-amine?
The InChIKey is BOAVHEKZVCPPMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8BrN3/c1-2-6-9-4(7)3-5(8)10-6/h3H,2H2,1H3,(H2,8,9,10).
What are the key properties of 6-bromo-2-ethylpyrimidin-4-amine?
6-bromo-2-ethylpyrimidin-4-amine has a molecular weight of 202.06 g/mol, XLogP of 1.38, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-ethylpyrimidin-4-amine is sourced from PubChem (CID 45094626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).