N-[(5-bromo-2-pyridinyl)methylideneamino]pyrimidin-2-amine

C10H8BrN5 — CID 155670950

IUPACN-[(5-bromo-2-pyridinyl)methylideneamino]pyrimidin-2-amine
SMILESBrc1ccc(C=NNc2ncccn2)nc1
InChIInChI=1S/C10H8BrN5/c11-8-2-3-9(14-6-8)7-15-16-10-12-4-1-5-13-10/h1-7H,(H,12,13,16)
InChIKeyUVLDCVWRRYRCRZ-UHFFFAOYSA-N
MW278.11 g/mol
LogP2.08
Rot. Bonds3

About N-[(5-bromo-2-pyridinyl)methylideneamino]pyrimidin-2-amine

N-[(5-bromo-2-pyridinyl)methylideneamino]pyrimidin-2-amine (PubChem CID 155670950) has the molecular formula C10H8BrN5 and a molecular weight of 278.11 g/mol. Its IUPAC name is N-[(5-bromo-2-pyridinyl)methylideneamino]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[(5-bromo-2-pyridinyl)methylideneamino]pyrimidin-2-amine
PubChem CID155670950
Molecular FormulaC10H8BrN5
Molecular Weight278.11 g/mol
Exact Mass277.00
IUPAC NameN-[(5-bromo-2-pyridinyl)methylideneamino]pyrimidin-2-amine
SMILESBrc1ccc(C=NNc2ncccn2)nc1
InChIInChI=1S/C10H8BrN5/c11-8-2-3-9(14-6-8)7-15-16-10-12-4-1-5-13-10/h1-7H,(H,12,13,16)
InChIKeyUVLDCVWRRYRCRZ-UHFFFAOYSA-N
XLogP2.08
TPSA63.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.11
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-pyridinyl)methylideneamino]pyrimidin-2-amine?
The IUPAC name of N-[(5-bromo-2-pyridinyl)methylideneamino]pyrimidin-2-amine (CID 155670950) is N-[(5-bromo-2-pyridinyl)methylideneamino]pyrimidin-2-amine.
What is the SMILES notation for N-[(5-bromo-2-pyridinyl)methylideneamino]pyrimidin-2-amine?
The canonical SMILES for N-[(5-bromo-2-pyridinyl)methylideneamino]pyrimidin-2-amine is Brc1ccc(C=NNc2ncccn2)nc1.
What is the InChIKey of N-[(5-bromo-2-pyridinyl)methylideneamino]pyrimidin-2-amine?
The InChIKey is UVLDCVWRRYRCRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrN5/c11-8-2-3-9(14-6-8)7-15-16-10-12-4-1-5-13-10/h1-7H,(H,12,13,16).
What are the key properties of N-[(5-bromo-2-pyridinyl)methylideneamino]pyrimidin-2-amine?
N-[(5-bromo-2-pyridinyl)methylideneamino]pyrimidin-2-amine has a molecular weight of 278.11 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-pyridinyl)methylideneamino]pyrimidin-2-amine is sourced from PubChem (CID 155670950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).