4-[(5-chloro-3-pyridinyl)oxy]-6-hydrazinylpyrimidin-2-amine

C9H9ClN6O — CID 80922149

IUPAC4-[(5-chloro-3-pyridinyl)oxy]-6-hydrazinylpyrimidin-2-amine
SMILESNNc1cc(Oc2cncc(Cl)c2)nc(N)n1
InChIInChI=1S/C9H9ClN6O/c10-5-1-6(4-13-3-5)17-8-2-7(16-12)14-9(11)15-8/h1-4H,12H2,(H3,11,14,15,16)
InChIKeyNHCORKNFCCQYBN-UHFFFAOYSA-N
MW252.67 g/mol
LogP1.19
Rot. Bonds3

About 4-[(5-chloro-3-pyridinyl)oxy]-6-hydrazinylpyrimidin-2-amine

4-[(5-chloro-3-pyridinyl)oxy]-6-hydrazinylpyrimidin-2-amine (PubChem CID 80922149) has the molecular formula C9H9ClN6O and a molecular weight of 252.67 g/mol. Its IUPAC name is 4-[(5-chloro-3-pyridinyl)oxy]-6-hydrazinylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[(5-chloro-3-pyridinyl)oxy]-6-hydrazinylpyrimidin-2-amine
PubChem CID80922149
Molecular FormulaC9H9ClN6O
Molecular Weight252.67 g/mol
Exact Mass252.05
IUPAC Name4-[(5-chloro-3-pyridinyl)oxy]-6-hydrazinylpyrimidin-2-amine
SMILESNNc1cc(Oc2cncc(Cl)c2)nc(N)n1
InChIInChI=1S/C9H9ClN6O/c10-5-1-6(4-13-3-5)17-8-2-7(16-12)14-9(11)15-8/h1-4H,12H2,(H3,11,14,15,16)
InChIKeyNHCORKNFCCQYBN-UHFFFAOYSA-N
XLogP1.19
TPSA111.97 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.67
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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 4-[(5-chloro-3-pyridinyl)oxy]-6-hydrazinylpyrimidin-2-amine?
The IUPAC name of 4-[(5-chloro-3-pyridinyl)oxy]-6-hydrazinylpyrimidin-2-amine (CID 80922149) is 4-[(5-chloro-3-pyridinyl)oxy]-6-hydrazinylpyrimidin-2-amine.
What is the SMILES notation for 4-[(5-chloro-3-pyridinyl)oxy]-6-hydrazinylpyrimidin-2-amine?
The canonical SMILES for 4-[(5-chloro-3-pyridinyl)oxy]-6-hydrazinylpyrimidin-2-amine is NNc1cc(Oc2cncc(Cl)c2)nc(N)n1.
What is the InChIKey of 4-[(5-chloro-3-pyridinyl)oxy]-6-hydrazinylpyrimidin-2-amine?
The InChIKey is NHCORKNFCCQYBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN6O/c10-5-1-6(4-13-3-5)17-8-2-7(16-12)14-9(11)15-8/h1-4H,12H2,(H3,11,14,15,16).
What are the key properties of 4-[(5-chloro-3-pyridinyl)oxy]-6-hydrazinylpyrimidin-2-amine?
4-[(5-chloro-3-pyridinyl)oxy]-6-hydrazinylpyrimidin-2-amine has a molecular weight of 252.67 g/mol, XLogP of 1.19, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chloro-3-pyridinyl)oxy]-6-hydrazinylpyrimidin-2-amine is sourced from PubChem (CID 80922149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).