5-bromo-6-methoxy-2-propan-2-ylpyrimidin-4-amine

C8H12BrN3O — CID 83867214

IUPAC5-bromo-6-methoxy-2-propan-2-ylpyrimidin-4-amine
SMILESCOc1nc(C(C)C)nc(N)c1Br
InChIInChI=1S/C8H12BrN3O/c1-4(2)7-11-6(10)5(9)8(12-7)13-3/h4H,1-3H3,(H2,10,11,12)
InChIKeyPXOHNCJVYINMIH-UHFFFAOYSA-N
MW246.11 g/mol
LogP1.95
Rot. Bonds2

About 5-bromo-6-methoxy-2-propan-2-ylpyrimidin-4-amine

5-bromo-6-methoxy-2-propan-2-ylpyrimidin-4-amine (PubChem CID 83867214) has the molecular formula C8H12BrN3O and a molecular weight of 246.11 g/mol. Its IUPAC name is 5-bromo-6-methoxy-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-6-methoxy-2-propan-2-ylpyrimidin-4-amine
PubChem CID83867214
Molecular FormulaC8H12BrN3O
Molecular Weight246.11 g/mol
Exact Mass245.02
IUPAC Name5-bromo-6-methoxy-2-propan-2-ylpyrimidin-4-amine
SMILESCOc1nc(C(C)C)nc(N)c1Br
InChIInChI=1S/C8H12BrN3O/c1-4(2)7-11-6(10)5(9)8(12-7)13-3/h4H,1-3H3,(H2,10,11,12)
InChIKeyPXOHNCJVYINMIH-UHFFFAOYSA-N
XLogP1.95
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.11
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-methoxy-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 5-bromo-6-methoxy-2-propan-2-ylpyrimidin-4-amine (CID 83867214) is 5-bromo-6-methoxy-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-6-methoxy-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-6-methoxy-2-propan-2-ylpyrimidin-4-amine is COc1nc(C(C)C)nc(N)c1Br.
What is the InChIKey of 5-bromo-6-methoxy-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is PXOHNCJVYINMIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrN3O/c1-4(2)7-11-6(10)5(9)8(12-7)13-3/h4H,1-3H3,(H2,10,11,12).
What are the key properties of 5-bromo-6-methoxy-2-propan-2-ylpyrimidin-4-amine?
5-bromo-6-methoxy-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 246.11 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-methoxy-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 83867214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).