4-(4-chloro-3-methylphenoxy)-6-hydrazinylpyrimidin-5-amine

C11H12ClN5O — CID 19150391

IUPAC4-(4-chloro-3-methylphenoxy)-6-hydrazinylpyrimidin-5-amine
SMILESCc1cc(Oc2ncnc(NN)c2N)ccc1Cl
InChIInChI=1S/C11H12ClN5O/c1-6-4-7(2-3-8(6)12)18-11-9(13)10(17-14)15-5-16-11/h2-5H,13-14H2,1H3,(H,15,16,17)
InChIKeyRYYRQYCOQRDZTJ-UHFFFAOYSA-N
MW265.70 g/mol
LogP2.10
Rot. Bonds3

About 4-(4-chloro-3-methylphenoxy)-6-hydrazinylpyrimidin-5-amine

4-(4-chloro-3-methylphenoxy)-6-hydrazinylpyrimidin-5-amine (PubChem CID 19150391) has the molecular formula C11H12ClN5O and a molecular weight of 265.70 g/mol. Its IUPAC name is 4-(4-chloro-3-methylphenoxy)-6-hydrazinylpyrimidin-5-amine.

Molecular Properties

Compound Name4-(4-chloro-3-methylphenoxy)-6-hydrazinylpyrimidin-5-amine
PubChem CID19150391
Molecular FormulaC11H12ClN5O
Molecular Weight265.70 g/mol
Exact Mass265.07
IUPAC Name4-(4-chloro-3-methylphenoxy)-6-hydrazinylpyrimidin-5-amine
SMILESCc1cc(Oc2ncnc(NN)c2N)ccc1Cl
InChIInChI=1S/C11H12ClN5O/c1-6-4-7(2-3-8(6)12)18-11-9(13)10(17-14)15-5-16-11/h2-5H,13-14H2,1H3,(H,15,16,17)
InChIKeyRYYRQYCOQRDZTJ-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-(4-chloro-3-methylphenoxy)-4-N-propylpyrimidine-4,5-diamine
CID 19135502
6-(4-chloro-3-methylphenoxy)-4-N-(5-chloro-2-methylphenyl)pyrimidine-4,5-diamine
CID 22547316
6-(4-chloro-3-methylphenoxy)-4-N-(3-methylphenyl)pyrimidine-4,5-diamine
CID 19148294
6-(4-chloro-3-methylphenoxy)-4-N-(5-chloro-2-pyridinyl)pyrimidine-4,5-diamine
CID 19147139
6-(4-chloro-3-methylphenoxy)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,5-diamine
CID 19153230
4-(4-chloro-3-methylphenoxy)-6-(4-ethylphenoxy)pyrimidin-5-amine
CID 19153248
N'-[5-amino-6-(4-chloro-3-methylphenoxy)pyrimidin-4-yl]benzohydrazide
CID 19150655
4-N-(1,3-benzodioxol-5-yl)-6-(4-chloro-3-methylphenoxy)pyrimidine-4,5-diamine
CID 22542193
6-(4-chloro-3-methylphenoxy)-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,5-diamine
CID 19153260
4-N-(5-chloro-2-methylphenyl)-6-(3,4-dimethylphenoxy)pyrimidine-4,5-diamine
CID 22547350
[6-(4-chloro-3-methylphenoxy)pyrimidin-4-yl]hydrazine
CID 80917345
4-(4-chloro-3-methylphenoxy)-6-quinolin-8-yloxypyrimidin-5-amine
CID 19141838

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-3-methylphenoxy)-6-hydrazinylpyrimidin-5-amine?
The IUPAC name of 4-(4-chloro-3-methylphenoxy)-6-hydrazinylpyrimidin-5-amine (CID 19150391) is 4-(4-chloro-3-methylphenoxy)-6-hydrazinylpyrimidin-5-amine.
What is the SMILES notation for 4-(4-chloro-3-methylphenoxy)-6-hydrazinylpyrimidin-5-amine?
The canonical SMILES for 4-(4-chloro-3-methylphenoxy)-6-hydrazinylpyrimidin-5-amine is Cc1cc(Oc2ncnc(NN)c2N)ccc1Cl.
What is the InChIKey of 4-(4-chloro-3-methylphenoxy)-6-hydrazinylpyrimidin-5-amine?
The InChIKey is RYYRQYCOQRDZTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN5O/c1-6-4-7(2-3-8(6)12)18-11-9(13)10(17-14)15-5-16-11/h2-5H,13-14H2,1H3,(H,15,16,17).
What are the key properties of 4-(4-chloro-3-methylphenoxy)-6-hydrazinylpyrimidin-5-amine?
4-(4-chloro-3-methylphenoxy)-6-hydrazinylpyrimidin-5-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-(4-chloro-3-methylphenoxy)-6-hydrazinylpyrimidin-5-amine is sourced from PubChem (CID 19150391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).