N-(6-bromo-5-methoxy-2-pyridinyl)pyrimidin-2-amine

C10H9BrN4O — CID 58053387

IUPACN-(6-bromo-5-methoxy-2-pyridinyl)pyrimidin-2-amine
SMILESCOc1ccc(Nc2ncccn2)nc1Br
InChIInChI=1S/C10H9BrN4O/c1-16-7-3-4-8(14-9(7)11)15-10-12-5-2-6-13-10/h2-6H,1H3,(H,12,13,14,15)
InChIKeyHKPYUTWVAOKGSW-UHFFFAOYSA-N
MW281.11 g/mol
LogP2.39
Rot. Bonds3

About N-(6-bromo-5-methoxy-2-pyridinyl)pyrimidin-2-amine

N-(6-bromo-5-methoxy-2-pyridinyl)pyrimidin-2-amine (PubChem CID 58053387) has the molecular formula C10H9BrN4O and a molecular weight of 281.11 g/mol. Its IUPAC name is N-(6-bromo-5-methoxy-2-pyridinyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(6-bromo-5-methoxy-2-pyridinyl)pyrimidin-2-amine
PubChem CID58053387
Molecular FormulaC10H9BrN4O
Molecular Weight281.11 g/mol
Exact Mass280.00
IUPAC NameN-(6-bromo-5-methoxy-2-pyridinyl)pyrimidin-2-amine
SMILESCOc1ccc(Nc2ncccn2)nc1Br
InChIInChI=1S/C10H9BrN4O/c1-16-7-3-4-8(14-9(7)11)15-10-12-5-2-6-13-10/h2-6H,1H3,(H,12,13,14,15)
InChIKeyHKPYUTWVAOKGSW-UHFFFAOYSA-N
XLogP2.39
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.11
LogP ≤ 52.39
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 N-(6-bromo-5-methoxy-2-pyridinyl)pyrimidin-2-amine?
The IUPAC name of N-(6-bromo-5-methoxy-2-pyridinyl)pyrimidin-2-amine (CID 58053387) is N-(6-bromo-5-methoxy-2-pyridinyl)pyrimidin-2-amine.
What is the SMILES notation for N-(6-bromo-5-methoxy-2-pyridinyl)pyrimidin-2-amine?
The canonical SMILES for N-(6-bromo-5-methoxy-2-pyridinyl)pyrimidin-2-amine is COc1ccc(Nc2ncccn2)nc1Br.
What is the InChIKey of N-(6-bromo-5-methoxy-2-pyridinyl)pyrimidin-2-amine?
The InChIKey is HKPYUTWVAOKGSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN4O/c1-16-7-3-4-8(14-9(7)11)15-10-12-5-2-6-13-10/h2-6H,1H3,(H,12,13,14,15).
What are the key properties of N-(6-bromo-5-methoxy-2-pyridinyl)pyrimidin-2-amine?
N-(6-bromo-5-methoxy-2-pyridinyl)pyrimidin-2-amine has a molecular weight of 281.11 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-5-methoxy-2-pyridinyl)pyrimidin-2-amine is sourced from PubChem (CID 58053387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).