5-(bromomethyl)-4-ethyl-N-methylpyrimidin-2-amine

C8H12BrN3 — CID 130483336

IUPAC5-(bromomethyl)-4-ethyl-N-methylpyrimidin-2-amine
SMILESCCc1nc(NC)ncc1CBr
InChIInChI=1S/C8H12BrN3/c1-3-7-6(4-9)5-11-8(10-2)12-7/h5H,3-4H2,1-2H3,(H,10,11,12)
InChIKeyVWHLASVNAKZGNM-UHFFFAOYSA-N
MW230.11 g/mol
LogP1.98
Rot. Bonds3

About 5-(bromomethyl)-4-ethyl-N-methylpyrimidin-2-amine

5-(bromomethyl)-4-ethyl-N-methylpyrimidin-2-amine (PubChem CID 130483336) has the molecular formula C8H12BrN3 and a molecular weight of 230.11 g/mol. Its IUPAC name is 5-(bromomethyl)-4-ethyl-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name5-(bromomethyl)-4-ethyl-N-methylpyrimidin-2-amine
PubChem CID130483336
Molecular FormulaC8H12BrN3
Molecular Weight230.11 g/mol
Exact Mass229.02
IUPAC Name5-(bromomethyl)-4-ethyl-N-methylpyrimidin-2-amine
SMILESCCc1nc(NC)ncc1CBr
InChIInChI=1S/C8H12BrN3/c1-3-7-6(4-9)5-11-8(10-2)12-7/h5H,3-4H2,1-2H3,(H,10,11,12)
InChIKeyVWHLASVNAKZGNM-UHFFFAOYSA-N
XLogP1.98
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.11
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-4-ethyl-N-methylpyrimidin-2-amine?
The IUPAC name of 5-(bromomethyl)-4-ethyl-N-methylpyrimidin-2-amine (CID 130483336) is 5-(bromomethyl)-4-ethyl-N-methylpyrimidin-2-amine.
What is the SMILES notation for 5-(bromomethyl)-4-ethyl-N-methylpyrimidin-2-amine?
The canonical SMILES for 5-(bromomethyl)-4-ethyl-N-methylpyrimidin-2-amine is CCc1nc(NC)ncc1CBr.
What is the InChIKey of 5-(bromomethyl)-4-ethyl-N-methylpyrimidin-2-amine?
The InChIKey is VWHLASVNAKZGNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrN3/c1-3-7-6(4-9)5-11-8(10-2)12-7/h5H,3-4H2,1-2H3,(H,10,11,12).
What are the key properties of 5-(bromomethyl)-4-ethyl-N-methylpyrimidin-2-amine?
5-(bromomethyl)-4-ethyl-N-methylpyrimidin-2-amine has a molecular weight of 230.11 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-4-ethyl-N-methylpyrimidin-2-amine is sourced from PubChem (CID 130483336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).