4-(2-chloro-4-methylphenoxy)-6-hydrazinylpyrimidin-2-amine

C11H12ClN5O — CID 80930868

IUPAC4-(2-chloro-4-methylphenoxy)-6-hydrazinylpyrimidin-2-amine
SMILESCc1ccc(Oc2cc(NN)nc(N)n2)c(Cl)c1
InChIInChI=1S/C11H12ClN5O/c1-6-2-3-8(7(12)4-6)18-10-5-9(17-14)15-11(13)16-10/h2-5H,14H2,1H3,(H3,13,15,16,17)
InChIKeyFKBODWCOESZIKO-UHFFFAOYSA-N
MW265.70 g/mol
LogP2.10
Rot. Bonds3

About 4-(2-chloro-4-methylphenoxy)-6-hydrazinylpyrimidin-2-amine

4-(2-chloro-4-methylphenoxy)-6-hydrazinylpyrimidin-2-amine (PubChem CID 80930868) has the molecular formula C11H12ClN5O and a molecular weight of 265.70 g/mol. Its IUPAC name is 4-(2-chloro-4-methylphenoxy)-6-hydrazinylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(2-chloro-4-methylphenoxy)-6-hydrazinylpyrimidin-2-amine
PubChem CID80930868
Molecular FormulaC11H12ClN5O
Molecular Weight265.70 g/mol
Exact Mass265.07
IUPAC Name4-(2-chloro-4-methylphenoxy)-6-hydrazinylpyrimidin-2-amine
SMILESCc1ccc(Oc2cc(NN)nc(N)n2)c(Cl)c1
InChIInChI=1S/C11H12ClN5O/c1-6-2-3-8(7(12)4-6)18-10-5-9(17-14)15-11(13)16-10/h2-5H,14H2,1H3,(H3,13,15,16,17)
InChIKeyFKBODWCOESZIKO-UHFFFAOYSA-N
XLogP2.10
TPSA99.08 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.70
LogP ≤ 52.10
H-Bond Donors ≤ 53
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

6-(2-chloro-4-methylphenoxy)pyrimidine-2,4-diamine
CID 80878907
[6-(2-chloro-4-methylphenoxy)-2-pyridinyl]hydrazine
CID 80930553
4-(5-chloro-2-methylphenoxy)-6-hydrazinylpyrimidin-2-amine
CID 80921660
4-(5-bromo-2-methylphenoxy)-6-hydrazinylpyrimidin-2-amine
CID 107287670
4-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-6-hydrazinylpyrimidin-2-amine
CID 80912189
6-(4-bromo-2-chlorophenoxy)-4-N-propylpyrimidine-2,4-diamine
CID 80881844
4-chloro-6-(2-methoxy-4-methylphenoxy)pyrimidin-2-amine
CID 80739225
4-(4-chloro-2-nitrophenoxy)-6-hydrazinylpyrimidin-2-amine
CID 80912253
6-(2-chloro-4-methylphenoxy)-2-ethyl-N-methylpyrimidin-4-amine
CID 80942372
4-hydrazinyl-6-(2-methylquinolin-8-yl)oxypyrimidin-2-amine
CID 80912967
[6-(4-bromo-2-chlorophenoxy)-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80980378
2-(2-chloro-4-methylphenoxy)pyridin-4-amine
CID 62670410

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-4-methylphenoxy)-6-hydrazinylpyrimidin-2-amine?
The IUPAC name of 4-(2-chloro-4-methylphenoxy)-6-hydrazinylpyrimidin-2-amine (CID 80930868) is 4-(2-chloro-4-methylphenoxy)-6-hydrazinylpyrimidin-2-amine.
What is the SMILES notation for 4-(2-chloro-4-methylphenoxy)-6-hydrazinylpyrimidin-2-amine?
The canonical SMILES for 4-(2-chloro-4-methylphenoxy)-6-hydrazinylpyrimidin-2-amine is Cc1ccc(Oc2cc(NN)nc(N)n2)c(Cl)c1.
What is the InChIKey of 4-(2-chloro-4-methylphenoxy)-6-hydrazinylpyrimidin-2-amine?
The InChIKey is FKBODWCOESZIKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN5O/c1-6-2-3-8(7(12)4-6)18-10-5-9(17-14)15-11(13)16-10/h2-5H,14H2,1H3,(H3,13,15,16,17).
What are the key properties of 4-(2-chloro-4-methylphenoxy)-6-hydrazinylpyrimidin-2-amine?
4-(2-chloro-4-methylphenoxy)-6-hydrazinylpyrimidin-2-amine has a molecular weight of 265.70 g/mol, XLogP of 2.10, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-4-methylphenoxy)-6-hydrazinylpyrimidin-2-amine is sourced from PubChem (CID 80930868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).