5-bromo-4-(methoxymethyl)pyrimidin-2-amine

C6H8BrN3O — CID 86058804

IUPAC5-bromo-4-(methoxymethyl)pyrimidin-2-amine
SMILESCOCc1nc(N)ncc1Br
InChIInChI=1S/C6H8BrN3O/c1-11-3-5-4(7)2-9-6(8)10-5/h2H,3H2,1H3,(H2,8,9,10)
InChIKeyJZSCJQYAEVJEII-UHFFFAOYSA-N
MW218.05 g/mol
LogP0.97
Rot. Bonds2

About 5-bromo-4-(methoxymethyl)pyrimidin-2-amine

5-bromo-4-(methoxymethyl)pyrimidin-2-amine (PubChem CID 86058804) has the molecular formula C6H8BrN3O and a molecular weight of 218.05 g/mol. Its IUPAC name is 5-bromo-4-(methoxymethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-4-(methoxymethyl)pyrimidin-2-amine
PubChem CID86058804
Molecular FormulaC6H8BrN3O
Molecular Weight218.05 g/mol
Exact Mass216.99
IUPAC Name5-bromo-4-(methoxymethyl)pyrimidin-2-amine
SMILESCOCc1nc(N)ncc1Br
InChIInChI=1S/C6H8BrN3O/c1-11-3-5-4(7)2-9-6(8)10-5/h2H,3H2,1H3,(H2,8,9,10)
InChIKeyJZSCJQYAEVJEII-UHFFFAOYSA-N
XLogP0.97
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.05
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(methoxymethyl)pyrimidin-2-amine?
The IUPAC name of 5-bromo-4-(methoxymethyl)pyrimidin-2-amine (CID 86058804) is 5-bromo-4-(methoxymethyl)pyrimidin-2-amine.
What is the SMILES notation for 5-bromo-4-(methoxymethyl)pyrimidin-2-amine?
The canonical SMILES for 5-bromo-4-(methoxymethyl)pyrimidin-2-amine is COCc1nc(N)ncc1Br.
What is the InChIKey of 5-bromo-4-(methoxymethyl)pyrimidin-2-amine?
The InChIKey is JZSCJQYAEVJEII-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8BrN3O/c1-11-3-5-4(7)2-9-6(8)10-5/h2H,3H2,1H3,(H2,8,9,10).
What are the key properties of 5-bromo-4-(methoxymethyl)pyrimidin-2-amine?
5-bromo-4-(methoxymethyl)pyrimidin-2-amine has a molecular weight of 218.05 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(methoxymethyl)pyrimidin-2-amine is sourced from PubChem (CID 86058804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).