5-bromo-2-chloropyrimidin-4-amine;oxolane

C8H11BrClN3O — CID 143294282

IUPAC5-bromo-2-chloropyrimidin-4-amine;oxolane
SMILESC1CCOC1.Nc1nc(Cl)ncc1Br
InChIInChI=1S/C4H3BrClN3.C4H8O/c5-2-1-8-4(6)9-3(2)7;1-2-4-5-3-1/h1H,(H2,7,8,9);1-4H2
InChIKeyQMJUGFWDLUMBBD-UHFFFAOYSA-N
MW280.55 g/mol
LogP2.27
Rot. Bonds

About 5-bromo-2-chloropyrimidin-4-amine;oxolane

5-bromo-2-chloropyrimidin-4-amine;oxolane (PubChem CID 143294282) has the molecular formula C8H11BrClN3O and a molecular weight of 280.55 g/mol. Its IUPAC name is 5-bromo-2-chloropyrimidin-4-amine;oxolane.

Molecular Properties

Compound Name5-bromo-2-chloropyrimidin-4-amine;oxolane
PubChem CID143294282
Molecular FormulaC8H11BrClN3O
Molecular Weight280.55 g/mol
Exact Mass278.98
IUPAC Name5-bromo-2-chloropyrimidin-4-amine;oxolane
SMILESC1CCOC1.Nc1nc(Cl)ncc1Br
InChIInChI=1S/C4H3BrClN3.C4H8O/c5-2-1-8-4(6)9-3(2)7;1-2-4-5-3-1/h1H,(H2,7,8,9);1-4H2
InChIKeyQMJUGFWDLUMBBD-UHFFFAOYSA-N
XLogP2.27
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.55
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloropyrimidin-4-amine;oxolane?
The IUPAC name of 5-bromo-2-chloropyrimidin-4-amine;oxolane (CID 143294282) is 5-bromo-2-chloropyrimidin-4-amine;oxolane.
What is the SMILES notation for 5-bromo-2-chloropyrimidin-4-amine;oxolane?
The canonical SMILES for 5-bromo-2-chloropyrimidin-4-amine;oxolane is C1CCOC1.Nc1nc(Cl)ncc1Br.
What is the InChIKey of 5-bromo-2-chloropyrimidin-4-amine;oxolane?
The InChIKey is QMJUGFWDLUMBBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3BrClN3.C4H8O/c5-2-1-8-4(6)9-3(2)7;1-2-4-5-3-1/h1H,(H2,7,8,9);1-4H2.
What are the key properties of 5-bromo-2-chloropyrimidin-4-amine;oxolane?
5-bromo-2-chloropyrimidin-4-amine;oxolane has a molecular weight of 280.55 g/mol, XLogP of 2.27, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloropyrimidin-4-amine;oxolane is sourced from PubChem (CID 143294282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).