6-(1-bromoethyl)pteridine-2,4-diamine;hydrobromide

C8H10Br2N6 — CID 18540584

IUPAC6-(1-bromoethyl)pteridine-2,4-diamine;hydrobromide
SMILESBr.CC(Br)c1cnc2nc(N)nc(N)c2n1
InChIInChI=1S/C8H9BrN6.BrH/c1-3(9)4-2-12-7-5(13-4)6(10)14-8(11)15-7;/h2-3H,1H3,(H4,10,11,12,14,15);1H
InChIKeyVIZHYOHARODBDT-UHFFFAOYSA-N
MW350.02 g/mol
LogP1.62
Rot. Bonds1

About 6-(1-bromoethyl)pteridine-2,4-diamine;hydrobromide

6-(1-bromoethyl)pteridine-2,4-diamine;hydrobromide (PubChem CID 18540584) has the molecular formula C8H10Br2N6 and a molecular weight of 350.02 g/mol. Its IUPAC name is 6-(1-bromoethyl)pteridine-2,4-diamine;hydrobromide.

Molecular Properties

Compound Name6-(1-bromoethyl)pteridine-2,4-diamine;hydrobromide
PubChem CID18540584
Molecular FormulaC8H10Br2N6
Molecular Weight350.02 g/mol
Exact Mass347.93
IUPAC Name6-(1-bromoethyl)pteridine-2,4-diamine;hydrobromide
SMILESBr.CC(Br)c1cnc2nc(N)nc(N)c2n1
InChIInChI=1S/C8H9BrN6.BrH/c1-3(9)4-2-12-7-5(13-4)6(10)14-8(11)15-7;/h2-3H,1H3,(H4,10,11,12,14,15);1H
InChIKeyVIZHYOHARODBDT-UHFFFAOYSA-N
XLogP1.62
TPSA103.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.02
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 6-(1-bromoethyl)pteridine-2,4-diamine;hydrobromide?
The IUPAC name of 6-(1-bromoethyl)pteridine-2,4-diamine;hydrobromide (CID 18540584) is 6-(1-bromoethyl)pteridine-2,4-diamine;hydrobromide.
What is the SMILES notation for 6-(1-bromoethyl)pteridine-2,4-diamine;hydrobromide?
The canonical SMILES for 6-(1-bromoethyl)pteridine-2,4-diamine;hydrobromide is Br.CC(Br)c1cnc2nc(N)nc(N)c2n1.
What is the InChIKey of 6-(1-bromoethyl)pteridine-2,4-diamine;hydrobromide?
The InChIKey is VIZHYOHARODBDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN6.BrH/c1-3(9)4-2-12-7-5(13-4)6(10)14-8(11)15-7;/h2-3H,1H3,(H4,10,11,12,14,15);1H.
What are the key properties of 6-(1-bromoethyl)pteridine-2,4-diamine;hydrobromide?
6-(1-bromoethyl)pteridine-2,4-diamine;hydrobromide has a molecular weight of 350.02 g/mol, XLogP of 1.62, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-bromoethyl)pteridine-2,4-diamine;hydrobromide is sourced from PubChem (CID 18540584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).