6-bromo-N-cyclopent-3-en-1-yl-2-methylpyrimidin-4-amine

C10H12BrN3 — CID 106196109

IUPAC6-bromo-N-cyclopent-3-en-1-yl-2-methylpyrimidin-4-amine
SMILESCc1nc(Br)cc(NC2CC=CC2)n1
InChIInChI=1S/C10H12BrN3/c1-7-12-9(11)6-10(13-7)14-8-4-2-3-5-8/h2-3,6,8H,4-5H2,1H3,(H,12,13,14)
InChIKeyWVQLFXZELGIEKB-UHFFFAOYSA-N
MW254.13 g/mol
LogP2.68
Rot. Bonds2

About 6-bromo-N-cyclopent-3-en-1-yl-2-methylpyrimidin-4-amine

6-bromo-N-cyclopent-3-en-1-yl-2-methylpyrimidin-4-amine (PubChem CID 106196109) has the molecular formula C10H12BrN3 and a molecular weight of 254.13 g/mol. Its IUPAC name is 6-bromo-N-cyclopent-3-en-1-yl-2-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-bromo-N-cyclopent-3-en-1-yl-2-methylpyrimidin-4-amine
PubChem CID106196109
Molecular FormulaC10H12BrN3
Molecular Weight254.13 g/mol
Exact Mass253.02
IUPAC Name6-bromo-N-cyclopent-3-en-1-yl-2-methylpyrimidin-4-amine
SMILESCc1nc(Br)cc(NC2CC=CC2)n1
InChIInChI=1S/C10H12BrN3/c1-7-12-9(11)6-10(13-7)14-8-4-2-3-5-8/h2-3,6,8H,4-5H2,1H3,(H,12,13,14)
InChIKeyWVQLFXZELGIEKB-UHFFFAOYSA-N
XLogP2.68
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.13
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-cyclopent-3-en-1-yl-2-methylpyrimidin-4-amine?
The IUPAC name of 6-bromo-N-cyclopent-3-en-1-yl-2-methylpyrimidin-4-amine (CID 106196109) is 6-bromo-N-cyclopent-3-en-1-yl-2-methylpyrimidin-4-amine.
What is the SMILES notation for 6-bromo-N-cyclopent-3-en-1-yl-2-methylpyrimidin-4-amine?
The canonical SMILES for 6-bromo-N-cyclopent-3-en-1-yl-2-methylpyrimidin-4-amine is Cc1nc(Br)cc(NC2CC=CC2)n1.
What is the InChIKey of 6-bromo-N-cyclopent-3-en-1-yl-2-methylpyrimidin-4-amine?
The InChIKey is WVQLFXZELGIEKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN3/c1-7-12-9(11)6-10(13-7)14-8-4-2-3-5-8/h2-3,6,8H,4-5H2,1H3,(H,12,13,14).
What are the key properties of 6-bromo-N-cyclopent-3-en-1-yl-2-methylpyrimidin-4-amine?
6-bromo-N-cyclopent-3-en-1-yl-2-methylpyrimidin-4-amine has a molecular weight of 254.13 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-cyclopent-3-en-1-yl-2-methylpyrimidin-4-amine is sourced from PubChem (CID 106196109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).