[5-chloro-4-(3-methoxyphenoxy)pyrimidin-2-yl]hydrazine

C11H11ClN4O2 — CID 80914939

IUPAC[5-chloro-4-(3-methoxyphenoxy)pyrimidin-2-yl]hydrazine
SMILESCOc1cccc(Oc2nc(NN)ncc2Cl)c1
InChIInChI=1S/C11H11ClN4O2/c1-17-7-3-2-4-8(5-7)18-10-9(12)6-14-11(15-10)16-13/h2-6H,13H2,1H3,(H,14,15,16)
InChIKeyCGINIVLYKFDIQO-UHFFFAOYSA-N
MW266.69 g/mol
LogP2.22
Rot. Bonds4

About [5-chloro-4-(3-methoxyphenoxy)pyrimidin-2-yl]hydrazine

[5-chloro-4-(3-methoxyphenoxy)pyrimidin-2-yl]hydrazine (PubChem CID 80914939) has the molecular formula C11H11ClN4O2 and a molecular weight of 266.69 g/mol. Its IUPAC name is [5-chloro-4-(3-methoxyphenoxy)pyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name[5-chloro-4-(3-methoxyphenoxy)pyrimidin-2-yl]hydrazine
PubChem CID80914939
Molecular FormulaC11H11ClN4O2
Molecular Weight266.69 g/mol
Exact Mass266.06
IUPAC Name[5-chloro-4-(3-methoxyphenoxy)pyrimidin-2-yl]hydrazine
SMILESCOc1cccc(Oc2nc(NN)ncc2Cl)c1
InChIInChI=1S/C11H11ClN4O2/c1-17-7-3-2-4-8(5-7)18-10-9(12)6-14-11(15-10)16-13/h2-6H,13H2,1H3,(H,14,15,16)
InChIKeyCGINIVLYKFDIQO-UHFFFAOYSA-N
XLogP2.22
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.69
LogP ≤ 52.22
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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Related Compounds

[5-chloro-4-(3-ethylphenoxy)pyrimidin-2-yl]hydrazine
CID 80913199
3-(5-chloro-2-hydrazinylpyrimidin-4-yl)oxy-5-methoxybenzonitrile
CID 103568494
(5-chloro-4-methoxypyrimidin-2-yl)hydrazine
CID 80911079
[5-chloro-4-(4-methoxy-2-nitrophenoxy)pyrimidin-2-yl]hydrazine
CID 80911443
[5-chloro-4-(2,3-dihydro-1H-inden-5-yloxy)pyrimidin-2-yl]hydrazine
CID 80917000
[5-chloro-4-(2-chloro-4-fluorophenoxy)pyrimidin-2-yl]hydrazine
CID 80918493
[5-bromo-4-[(3-methoxyphenyl)methoxy]pyrimidin-2-yl]hydrazine
CID 80914039
5-chloro-N-(3,5-dimethoxyphenyl)-2-hydrazinylpyrimidin-4-amine
CID 80919912
3-(2-hydrazinyl-5-methylpyrimidin-4-yl)oxy-N,N-dimethylaniline
CID 80920463
5-chloro-N-[(E)-1-(4-methoxyphenyl)ethylideneamino]-4-phenoxypyrimidin-2-amine
CID 141416558
5-chloro-4-(3-iodophenoxy)-N-propylpyrimidin-2-amine
CID 80881200
[5-chloro-4-[2-[(E)-prop-1-enyl]phenoxy]pyrimidin-2-yl]hydrazine
CID 80912130

Frequently Asked Questions

What is the IUPAC name of [5-chloro-4-(3-methoxyphenoxy)pyrimidin-2-yl]hydrazine?
The IUPAC name of [5-chloro-4-(3-methoxyphenoxy)pyrimidin-2-yl]hydrazine (CID 80914939) is [5-chloro-4-(3-methoxyphenoxy)pyrimidin-2-yl]hydrazine.
What is the SMILES notation for [5-chloro-4-(3-methoxyphenoxy)pyrimidin-2-yl]hydrazine?
The canonical SMILES for [5-chloro-4-(3-methoxyphenoxy)pyrimidin-2-yl]hydrazine is COc1cccc(Oc2nc(NN)ncc2Cl)c1.
What is the InChIKey of [5-chloro-4-(3-methoxyphenoxy)pyrimidin-2-yl]hydrazine?
The InChIKey is CGINIVLYKFDIQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4O2/c1-17-7-3-2-4-8(5-7)18-10-9(12)6-14-11(15-10)16-13/h2-6H,13H2,1H3,(H,14,15,16).
What are the key properties of [5-chloro-4-(3-methoxyphenoxy)pyrimidin-2-yl]hydrazine?
[5-chloro-4-(3-methoxyphenoxy)pyrimidin-2-yl]hydrazine has a molecular weight of 266.69 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-4-(3-methoxyphenoxy)pyrimidin-2-yl]hydrazine is sourced from PubChem (CID 80914939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).