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

C13H15BrN4O — CID 122486173

IUPAC4-(6-bromo-3-methoxy-2-pyridinyl)-5-propan-2-ylpyrimidin-2-amine
SMILESCOc1ccc(Br)nc1-c1nc(N)ncc1C(C)C
InChIInChI=1S/C13H15BrN4O/c1-7(2)8-6-16-13(15)18-11(8)12-9(19-3)4-5-10(14)17-12/h4-7H,1-3H3,(H2,15,16,18)
InChIKeyRNDSJRARSFPPLV-UHFFFAOYSA-N
MW323.19 g/mol
LogP3.02
Rot. Bonds3

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

4-(6-bromo-3-methoxy-2-pyridinyl)-5-propan-2-ylpyrimidin-2-amine (PubChem CID 122486173) has the molecular formula C13H15BrN4O and a molecular weight of 323.19 g/mol. Its IUPAC name is 4-(6-bromo-3-methoxy-2-pyridinyl)-5-propan-2-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(6-bromo-3-methoxy-2-pyridinyl)-5-propan-2-ylpyrimidin-2-amine
PubChem CID122486173
Molecular FormulaC13H15BrN4O
Molecular Weight323.19 g/mol
Exact Mass322.04
IUPAC Name4-(6-bromo-3-methoxy-2-pyridinyl)-5-propan-2-ylpyrimidin-2-amine
SMILESCOc1ccc(Br)nc1-c1nc(N)ncc1C(C)C
InChIInChI=1S/C13H15BrN4O/c1-7(2)8-6-16-13(15)18-11(8)12-9(19-3)4-5-10(14)17-12/h4-7H,1-3H3,(H2,15,16,18)
InChIKeyRNDSJRARSFPPLV-UHFFFAOYSA-N
XLogP3.02
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.19
LogP ≤ 53.02
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-propan-2-ylpyrimidin-2-amine?
The IUPAC name of 4-(6-bromo-3-methoxy-2-pyridinyl)-5-propan-2-ylpyrimidin-2-amine (CID 122486173) is 4-(6-bromo-3-methoxy-2-pyridinyl)-5-propan-2-ylpyrimidin-2-amine.
What is the SMILES notation for 4-(6-bromo-3-methoxy-2-pyridinyl)-5-propan-2-ylpyrimidin-2-amine?
The canonical SMILES for 4-(6-bromo-3-methoxy-2-pyridinyl)-5-propan-2-ylpyrimidin-2-amine is COc1ccc(Br)nc1-c1nc(N)ncc1C(C)C.
What is the InChIKey of 4-(6-bromo-3-methoxy-2-pyridinyl)-5-propan-2-ylpyrimidin-2-amine?
The InChIKey is RNDSJRARSFPPLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN4O/c1-7(2)8-6-16-13(15)18-11(8)12-9(19-3)4-5-10(14)17-12/h4-7H,1-3H3,(H2,15,16,18).
What are the key properties of 4-(6-bromo-3-methoxy-2-pyridinyl)-5-propan-2-ylpyrimidin-2-amine?
4-(6-bromo-3-methoxy-2-pyridinyl)-5-propan-2-ylpyrimidin-2-amine has a molecular weight of 323.19 g/mol, XLogP of 3.02, 3 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-propan-2-ylpyrimidin-2-amine is sourced from PubChem (CID 122486173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).