(5-chloro-4-methoxypyrimidin-2-yl)hydrazine

C5H7ClN4O — CID 80911079

IUPAC(5-chloro-4-methoxypyrimidin-2-yl)hydrazine
SMILESCOc1nc(NN)ncc1Cl
InChIInChI=1S/C5H7ClN4O/c1-11-4-3(6)2-8-5(9-4)10-7/h2H,7H2,1H3,(H,8,9,10)
InChIKeyXRLLUMNHNFOQPJ-UHFFFAOYSA-N
MW174.59 g/mol
LogP0.42
Rot. Bonds2

About (5-chloro-4-methoxypyrimidin-2-yl)hydrazine

(5-chloro-4-methoxypyrimidin-2-yl)hydrazine (PubChem CID 80911079) has the molecular formula C5H7ClN4O and a molecular weight of 174.59 g/mol. Its IUPAC name is (5-chloro-4-methoxypyrimidin-2-yl)hydrazine.

Molecular Properties

Compound Name(5-chloro-4-methoxypyrimidin-2-yl)hydrazine
PubChem CID80911079
Molecular FormulaC5H7ClN4O
Molecular Weight174.59 g/mol
Exact Mass174.03
IUPAC Name(5-chloro-4-methoxypyrimidin-2-yl)hydrazine
SMILESCOc1nc(NN)ncc1Cl
InChIInChI=1S/C5H7ClN4O/c1-11-4-3(6)2-8-5(9-4)10-7/h2H,7H2,1H3,(H,8,9,10)
InChIKeyXRLLUMNHNFOQPJ-UHFFFAOYSA-N
XLogP0.42
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.59
LogP ≤ 50.42
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

(5-chloro-4-propan-2-yloxypyrimidin-2-yl)hydrazine
CID 80913433
[5-chloro-4-(2-methylpropoxy)pyrimidin-2-yl]hydrazine
CID 80912202
[5-chloro-4-(3-methoxyphenoxy)pyrimidin-2-yl]hydrazine
CID 80914939
3-(5-chloro-2-hydrazinylpyrimidin-4-yl)oxy-5-methoxybenzonitrile
CID 103568494
[5-chloro-4-(2-propoxyethoxy)pyrimidin-2-yl]hydrazine
CID 80923947
[5-chloro-4-(3,5-dimethylcyclohexyl)oxypyrimidin-2-yl]hydrazine
CID 80921386
[5-chloro-4-(2-chloro-4-fluorophenoxy)pyrimidin-2-yl]hydrazine
CID 80918493
[5-chloro-4-(4-methoxy-2-nitrophenoxy)pyrimidin-2-yl]hydrazine
CID 80911443
[5-chloro-4-(2,5-dimethylpyrazol-3-yl)oxypyrimidin-2-yl]hydrazine
CID 81345793
5-chloro-N-(3,5-dimethoxyphenyl)-2-hydrazinylpyrimidin-4-amine
CID 80919912
[5-chloro-4-[2-[(E)-prop-1-enyl]phenoxy]pyrimidin-2-yl]hydrazine
CID 80912130
[5-chloro-4-(2-cyclobutylethoxy)pyrimidin-2-yl]hydrazine
CID 106207949

Frequently Asked Questions

What is the IUPAC name of (5-chloro-4-methoxypyrimidin-2-yl)hydrazine?
The IUPAC name of (5-chloro-4-methoxypyrimidin-2-yl)hydrazine (CID 80911079) is (5-chloro-4-methoxypyrimidin-2-yl)hydrazine.
What is the SMILES notation for (5-chloro-4-methoxypyrimidin-2-yl)hydrazine?
The canonical SMILES for (5-chloro-4-methoxypyrimidin-2-yl)hydrazine is COc1nc(NN)ncc1Cl.
What is the InChIKey of (5-chloro-4-methoxypyrimidin-2-yl)hydrazine?
The InChIKey is XRLLUMNHNFOQPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7ClN4O/c1-11-4-3(6)2-8-5(9-4)10-7/h2H,7H2,1H3,(H,8,9,10).
What are the key properties of (5-chloro-4-methoxypyrimidin-2-yl)hydrazine?
(5-chloro-4-methoxypyrimidin-2-yl)hydrazine has a molecular weight of 174.59 g/mol, XLogP of 0.42, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-4-methoxypyrimidin-2-yl)hydrazine is sourced from PubChem (CID 80911079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).