5-bromo-2-chloro-6-methoxypyrimidin-4-amine

C5H5BrClN3O — CID 156806000

IUPAC5-bromo-2-chloro-6-methoxypyrimidin-4-amine
SMILESCOc1nc(Cl)nc(N)c1Br
InChIInChI=1S/C5H5BrClN3O/c1-11-4-2(6)3(8)9-5(7)10-4/h1H3,(H2,8,9,10)
InChIKeyIFCMPIHGWJWPOJ-UHFFFAOYSA-N
MW238.47 g/mol
LogP1.48
Rot. Bonds1

About 5-bromo-2-chloro-6-methoxypyrimidin-4-amine

5-bromo-2-chloro-6-methoxypyrimidin-4-amine (PubChem CID 156806000) has the molecular formula C5H5BrClN3O and a molecular weight of 238.47 g/mol. Its IUPAC name is 5-bromo-2-chloro-6-methoxypyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-chloro-6-methoxypyrimidin-4-amine
PubChem CID156806000
Molecular FormulaC5H5BrClN3O
Molecular Weight238.47 g/mol
Exact Mass236.93
IUPAC Name5-bromo-2-chloro-6-methoxypyrimidin-4-amine
SMILESCOc1nc(Cl)nc(N)c1Br
InChIInChI=1S/C5H5BrClN3O/c1-11-4-2(6)3(8)9-5(7)10-4/h1H3,(H2,8,9,10)
InChIKeyIFCMPIHGWJWPOJ-UHFFFAOYSA-N
XLogP1.48
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.47
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-6-methoxypyrimidin-4-amine?
The IUPAC name of 5-bromo-2-chloro-6-methoxypyrimidin-4-amine (CID 156806000) is 5-bromo-2-chloro-6-methoxypyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-chloro-6-methoxypyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-chloro-6-methoxypyrimidin-4-amine is COc1nc(Cl)nc(N)c1Br.
What is the InChIKey of 5-bromo-2-chloro-6-methoxypyrimidin-4-amine?
The InChIKey is IFCMPIHGWJWPOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5BrClN3O/c1-11-4-2(6)3(8)9-5(7)10-4/h1H3,(H2,8,9,10).
What are the key properties of 5-bromo-2-chloro-6-methoxypyrimidin-4-amine?
5-bromo-2-chloro-6-methoxypyrimidin-4-amine has a molecular weight of 238.47 g/mol, XLogP of 1.48, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-6-methoxypyrimidin-4-amine is sourced from PubChem (CID 156806000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).