[(3-bromofuran-2-yl)-pyrimidin-4-ylmethyl]hydrazine

C9H9BrN4O — CID 105221184

IUPAC[(3-bromofuran-2-yl)-pyrimidin-4-ylmethyl]hydrazine
SMILESNNC(c1ccncn1)c1occc1Br
InChIInChI=1S/C9H9BrN4O/c10-6-2-4-15-9(6)8(14-11)7-1-3-12-5-13-7/h1-5,8,14H,11H2
InChIKeyKSOZFYDEANCZGI-UHFFFAOYSA-N
MW269.10 g/mol
LogP1.38
Rot. Bonds3

About [(3-bromofuran-2-yl)-pyrimidin-4-ylmethyl]hydrazine

[(3-bromofuran-2-yl)-pyrimidin-4-ylmethyl]hydrazine (PubChem CID 105221184) has the molecular formula C9H9BrN4O and a molecular weight of 269.10 g/mol. Its IUPAC name is [(3-bromofuran-2-yl)-pyrimidin-4-ylmethyl]hydrazine.

Molecular Properties

Compound Name[(3-bromofuran-2-yl)-pyrimidin-4-ylmethyl]hydrazine
PubChem CID105221184
Molecular FormulaC9H9BrN4O
Molecular Weight269.10 g/mol
Exact Mass268.00
IUPAC Name[(3-bromofuran-2-yl)-pyrimidin-4-ylmethyl]hydrazine
SMILESNNC(c1ccncn1)c1occc1Br
InChIInChI=1S/C9H9BrN4O/c10-6-2-4-15-9(6)8(14-11)7-1-3-12-5-13-7/h1-5,8,14H,11H2
InChIKeyKSOZFYDEANCZGI-UHFFFAOYSA-N
XLogP1.38
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.10
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[(3-bromofuran-2-yl)-(5-chloro-2-pyridinyl)methyl]hydrazine
CID 105251639
[(3-bromofuran-2-yl)-(5-methylpyrazin-2-yl)methyl]hydrazine
CID 105309165
[pyrimidin-4-yl(pyrimidin-5-yl)methyl]hydrazine
CID 105220929
[pyrimidin-4-yl(thiophen-3-yl)methyl]hydrazine
CID 105220900
[(4-bromo-1-propan-2-ylpyrazol-5-yl)-pyrimidin-4-ylmethyl]hydrazine
CID 105220898
[(3-bromofuran-2-yl)-(3-ethyl-2-pyridinyl)methyl]hydrazine
CID 105263950
[(2-methylpyrazol-3-yl)-pyrimidin-4-ylmethyl]hydrazine
CID 105220886
[(3-bromofuran-2-yl)-(2,6-dimethyl-4-pyridinyl)methyl]hydrazine
CID 107504907
1-(3-bromofuran-2-yl)-N-methyl-1-pyridin-2-ylmethanamine
CID 63941858
[(3-fluoro-4-pyridinyl)-pyrimidin-4-ylmethyl]hydrazine
CID 105221029
(3-bromofuran-2-yl)-pyridin-4-ylmethanamine
CID 63942832
4-bromo-2-[(3-bromofuran-2-yl)-hydrazinylmethyl]aniline
CID 105263648

Frequently Asked Questions

What is the IUPAC name of [(3-bromofuran-2-yl)-pyrimidin-4-ylmethyl]hydrazine?
The IUPAC name of [(3-bromofuran-2-yl)-pyrimidin-4-ylmethyl]hydrazine (CID 105221184) is [(3-bromofuran-2-yl)-pyrimidin-4-ylmethyl]hydrazine.
What is the SMILES notation for [(3-bromofuran-2-yl)-pyrimidin-4-ylmethyl]hydrazine?
The canonical SMILES for [(3-bromofuran-2-yl)-pyrimidin-4-ylmethyl]hydrazine is NNC(c1ccncn1)c1occc1Br.
What is the InChIKey of [(3-bromofuran-2-yl)-pyrimidin-4-ylmethyl]hydrazine?
The InChIKey is KSOZFYDEANCZGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN4O/c10-6-2-4-15-9(6)8(14-11)7-1-3-12-5-13-7/h1-5,8,14H,11H2.
What are the key properties of [(3-bromofuran-2-yl)-pyrimidin-4-ylmethyl]hydrazine?
[(3-bromofuran-2-yl)-pyrimidin-4-ylmethyl]hydrazine has a molecular weight of 269.10 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-bromofuran-2-yl)-pyrimidin-4-ylmethyl]hydrazine is sourced from PubChem (CID 105221184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).