[2-(3-chloro-2-pyridinyl)-6-(methoxymethyl)pyrimidin-4-yl]hydrazine

C11H12ClN5O — CID 103445203

IUPAC[2-(3-chloro-2-pyridinyl)-6-(methoxymethyl)pyrimidin-4-yl]hydrazine
SMILESCOCc1cc(NN)nc(-c2ncccc2Cl)n1
InChIInChI=1S/C11H12ClN5O/c1-18-6-7-5-9(17-13)16-11(15-7)10-8(12)3-2-4-14-10/h2-5H,6,13H2,1H3,(H,15,16,17)
InChIKeyYRQLIBUXYDJTLU-UHFFFAOYSA-N
MW265.70 g/mol
LogP1.62
Rot. Bonds4

About [2-(3-chloro-2-pyridinyl)-6-(methoxymethyl)pyrimidin-4-yl]hydrazine

[2-(3-chloro-2-pyridinyl)-6-(methoxymethyl)pyrimidin-4-yl]hydrazine (PubChem CID 103445203) has the molecular formula C11H12ClN5O and a molecular weight of 265.70 g/mol. Its IUPAC name is [2-(3-chloro-2-pyridinyl)-6-(methoxymethyl)pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-(3-chloro-2-pyridinyl)-6-(methoxymethyl)pyrimidin-4-yl]hydrazine
PubChem CID103445203
Molecular FormulaC11H12ClN5O
Molecular Weight265.70 g/mol
Exact Mass265.07
IUPAC Name[2-(3-chloro-2-pyridinyl)-6-(methoxymethyl)pyrimidin-4-yl]hydrazine
SMILESCOCc1cc(NN)nc(-c2ncccc2Cl)n1
InChIInChI=1S/C11H12ClN5O/c1-18-6-7-5-9(17-13)16-11(15-7)10-8(12)3-2-4-14-10/h2-5H,6,13H2,1H3,(H,15,16,17)
InChIKeyYRQLIBUXYDJTLU-UHFFFAOYSA-N
XLogP1.62
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.70
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 [2-(3-chloro-2-pyridinyl)-6-(methoxymethyl)pyrimidin-4-yl]hydrazine?
The IUPAC name of [2-(3-chloro-2-pyridinyl)-6-(methoxymethyl)pyrimidin-4-yl]hydrazine (CID 103445203) is [2-(3-chloro-2-pyridinyl)-6-(methoxymethyl)pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-(3-chloro-2-pyridinyl)-6-(methoxymethyl)pyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-(3-chloro-2-pyridinyl)-6-(methoxymethyl)pyrimidin-4-yl]hydrazine is COCc1cc(NN)nc(-c2ncccc2Cl)n1.
What is the InChIKey of [2-(3-chloro-2-pyridinyl)-6-(methoxymethyl)pyrimidin-4-yl]hydrazine?
The InChIKey is YRQLIBUXYDJTLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN5O/c1-18-6-7-5-9(17-13)16-11(15-7)10-8(12)3-2-4-14-10/h2-5H,6,13H2,1H3,(H,15,16,17).
What are the key properties of [2-(3-chloro-2-pyridinyl)-6-(methoxymethyl)pyrimidin-4-yl]hydrazine?
[2-(3-chloro-2-pyridinyl)-6-(methoxymethyl)pyrimidin-4-yl]hydrazine has a molecular weight of 265.70 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chloro-2-pyridinyl)-6-(methoxymethyl)pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 103445203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).