4-(6-bromo-3-methoxy-2-pyridinyl)-5-methylpyrimidin-2-amine

C11H11BrN4O — CID 122486165

IUPAC4-(6-bromo-3-methoxy-2-pyridinyl)-5-methylpyrimidin-2-amine
SMILESCOc1ccc(Br)nc1-c1nc(N)ncc1C
InChIInChI=1S/C11H11BrN4O/c1-6-5-14-11(13)16-9(6)10-7(17-2)3-4-8(12)15-10/h3-5H,1-2H3,(H2,13,14,16)
InChIKeyHZMUPEGIKCDDJU-UHFFFAOYSA-N
MW295.14 g/mol
LogP2.20
Rot. Bonds2

About 4-(6-bromo-3-methoxy-2-pyridinyl)-5-methylpyrimidin-2-amine

4-(6-bromo-3-methoxy-2-pyridinyl)-5-methylpyrimidin-2-amine (PubChem CID 122486165) has the molecular formula C11H11BrN4O and a molecular weight of 295.14 g/mol. Its IUPAC name is 4-(6-bromo-3-methoxy-2-pyridinyl)-5-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(6-bromo-3-methoxy-2-pyridinyl)-5-methylpyrimidin-2-amine
PubChem CID122486165
Molecular FormulaC11H11BrN4O
Molecular Weight295.14 g/mol
Exact Mass294.01
IUPAC Name4-(6-bromo-3-methoxy-2-pyridinyl)-5-methylpyrimidin-2-amine
SMILESCOc1ccc(Br)nc1-c1nc(N)ncc1C
InChIInChI=1S/C11H11BrN4O/c1-6-5-14-11(13)16-9(6)10-7(17-2)3-4-8(12)15-10/h3-5H,1-2H3,(H2,13,14,16)
InChIKeyHZMUPEGIKCDDJU-UHFFFAOYSA-N
XLogP2.20
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.14
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(6-bromo-3-methoxy-2-pyridinyl)-5-methylpyrimidin-2-amine?
The IUPAC name of 4-(6-bromo-3-methoxy-2-pyridinyl)-5-methylpyrimidin-2-amine (CID 122486165) is 4-(6-bromo-3-methoxy-2-pyridinyl)-5-methylpyrimidin-2-amine.
What is the SMILES notation for 4-(6-bromo-3-methoxy-2-pyridinyl)-5-methylpyrimidin-2-amine?
The canonical SMILES for 4-(6-bromo-3-methoxy-2-pyridinyl)-5-methylpyrimidin-2-amine is COc1ccc(Br)nc1-c1nc(N)ncc1C.
What is the InChIKey of 4-(6-bromo-3-methoxy-2-pyridinyl)-5-methylpyrimidin-2-amine?
The InChIKey is HZMUPEGIKCDDJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN4O/c1-6-5-14-11(13)16-9(6)10-7(17-2)3-4-8(12)15-10/h3-5H,1-2H3,(H2,13,14,16).
What are the key properties of 4-(6-bromo-3-methoxy-2-pyridinyl)-5-methylpyrimidin-2-amine?
4-(6-bromo-3-methoxy-2-pyridinyl)-5-methylpyrimidin-2-amine has a molecular weight of 295.14 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-bromo-3-methoxy-2-pyridinyl)-5-methylpyrimidin-2-amine is sourced from PubChem (CID 122486165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).