[6-(3,4-dimethylphenoxy)-2-methylpyrimidin-4-yl]hydrazine

C13H16N4O — CID 80915052

IUPAC[6-(3,4-dimethylphenoxy)-2-methylpyrimidin-4-yl]hydrazine
SMILESCc1nc(NN)cc(Oc2ccc(C)c(C)c2)n1
InChIInChI=1S/C13H16N4O/c1-8-4-5-11(6-9(8)2)18-13-7-12(17-14)15-10(3)16-13/h4-7H,14H2,1-3H3,(H,15,16,17)
InChIKeyYKSBXHHQTLZCMJ-UHFFFAOYSA-N
MW244.30 g/mol
LogP2.48
Rot. Bonds3

About [6-(3,4-dimethylphenoxy)-2-methylpyrimidin-4-yl]hydrazine

[6-(3,4-dimethylphenoxy)-2-methylpyrimidin-4-yl]hydrazine (PubChem CID 80915052) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is [6-(3,4-dimethylphenoxy)-2-methylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-(3,4-dimethylphenoxy)-2-methylpyrimidin-4-yl]hydrazine
PubChem CID80915052
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name[6-(3,4-dimethylphenoxy)-2-methylpyrimidin-4-yl]hydrazine
SMILESCc1nc(NN)cc(Oc2ccc(C)c(C)c2)n1
InChIInChI=1S/C13H16N4O/c1-8-4-5-11(6-9(8)2)18-13-7-12(17-14)15-10(3)16-13/h4-7H,14H2,1-3H3,(H,15,16,17)
InChIKeyYKSBXHHQTLZCMJ-UHFFFAOYSA-N
XLogP2.48
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 52.48
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

[6-(3-fluorophenoxy)-2-methylpyrimidin-4-yl]hydrazine
CID 80916968
[6-(5-bromo-2-methylphenoxy)-2-methylpyrimidin-4-yl]hydrazine
CID 107287706
[2-methyl-6-[4-(2-methylbutan-2-yl)phenoxy]pyrimidin-4-yl]hydrazine
CID 80910663
[2-methyl-6-(2,3,5-trimethylphenoxy)pyrimidin-4-yl]hydrazine
CID 80916646
4-hydrazinyl-6-(3-methyl-4-propan-2-ylphenoxy)pyrimidin-2-amine
CID 80915422
6-(4-bromo-3-methylphenoxy)-2-methyl-N-propylpyrimidin-4-amine
CID 83145197
[6-(4-bromo-3-methylphenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
CID 106776480
[2-methyl-6-(2-methyl-5-nitrophenoxy)pyrimidin-4-yl]hydrazine
CID 80920604
6-(3,4-dimethylphenoxy)-N-methyl-2-methylsulfanylpyrimidin-4-amine
CID 80864389
N-ethyl-2-methyl-6-(3-methyl-4-propan-2-ylphenoxy)pyrimidin-4-amine
CID 80867147
(2-methyl-6-prop-2-enoxypyrimidin-4-yl)hydrazine
CID 80914123
[6-(4-methoxy-2-nitrophenoxy)-2-methylpyrimidin-4-yl]hydrazine
CID 80911771

Frequently Asked Questions

What is the IUPAC name of [6-(3,4-dimethylphenoxy)-2-methylpyrimidin-4-yl]hydrazine?
The IUPAC name of [6-(3,4-dimethylphenoxy)-2-methylpyrimidin-4-yl]hydrazine (CID 80915052) is [6-(3,4-dimethylphenoxy)-2-methylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-(3,4-dimethylphenoxy)-2-methylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-(3,4-dimethylphenoxy)-2-methylpyrimidin-4-yl]hydrazine is Cc1nc(NN)cc(Oc2ccc(C)c(C)c2)n1.
What is the InChIKey of [6-(3,4-dimethylphenoxy)-2-methylpyrimidin-4-yl]hydrazine?
The InChIKey is YKSBXHHQTLZCMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-8-4-5-11(6-9(8)2)18-13-7-12(17-14)15-10(3)16-13/h4-7H,14H2,1-3H3,(H,15,16,17).
What are the key properties of [6-(3,4-dimethylphenoxy)-2-methylpyrimidin-4-yl]hydrazine?
[6-(3,4-dimethylphenoxy)-2-methylpyrimidin-4-yl]hydrazine has a molecular weight of 244.30 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3,4-dimethylphenoxy)-2-methylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 80915052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).