[6-(3-methylphenoxy)-5-propan-2-ylpyrimidin-4-yl]hydrazine

C14H18N4O — CID 80916000

IUPAC[6-(3-methylphenoxy)-5-propan-2-ylpyrimidin-4-yl]hydrazine
SMILESCc1cccc(Oc2ncnc(NN)c2C(C)C)c1
InChIInChI=1S/C14H18N4O/c1-9(2)12-13(18-15)16-8-17-14(12)19-11-6-4-5-10(3)7-11/h4-9H,15H2,1-3H3,(H,16,17,18)
InChIKeyMTIMZNUQEXBYLT-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.99
Rot. Bonds4

About [6-(3-methylphenoxy)-5-propan-2-ylpyrimidin-4-yl]hydrazine

[6-(3-methylphenoxy)-5-propan-2-ylpyrimidin-4-yl]hydrazine (PubChem CID 80916000) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is [6-(3-methylphenoxy)-5-propan-2-ylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-(3-methylphenoxy)-5-propan-2-ylpyrimidin-4-yl]hydrazine
PubChem CID80916000
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name[6-(3-methylphenoxy)-5-propan-2-ylpyrimidin-4-yl]hydrazine
SMILESCc1cccc(Oc2ncnc(NN)c2C(C)C)c1
InChIInChI=1S/C14H18N4O/c1-9(2)12-13(18-15)16-8-17-14(12)19-11-6-4-5-10(3)7-11/h4-9H,15H2,1-3H3,(H,16,17,18)
InChIKeyMTIMZNUQEXBYLT-UHFFFAOYSA-N
XLogP2.99
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.99
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

3-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)oxy-N,N-dimethylaniline
CID 80913312
4-chloro-6-(3-methylphenoxy)-5-propan-2-ylpyrimidine
CID 63736411
[6-(2-methoxy-4-methylphenoxy)-5-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80909009
[6-(3-bromo-4-fluorophenoxy)-5-propan-2-ylpyrimidin-4-yl]hydrazine
CID 83238473
[5-propan-2-yl-6-(2,3,5-trimethylphenoxy)pyrimidin-4-yl]hydrazine
CID 80910696
[6-[(2-methyl-3-pyridinyl)oxy]-5-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80923375
[6-(3-chloro-2-fluorophenoxy)-5-propan-2-ylpyrimidin-4-yl]hydrazine
CID 116691466
[6-(3-bromo-5-fluorophenoxy)-5-propan-2-ylpyrimidin-4-yl]hydrazine
CID 81326582
6-(3-chlorophenoxy)-N-ethyl-5-propan-2-ylpyrimidin-4-amine
CID 80869449
[6-(3-ethoxyphenoxy)-5-methylpyrimidin-4-yl]hydrazine
CID 80930752
[6-(2-chloro-4-fluorophenoxy)-5-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80917339
[6-(5-bromo-2-chlorophenoxy)-5-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80924618

Frequently Asked Questions

What is the IUPAC name of [6-(3-methylphenoxy)-5-propan-2-ylpyrimidin-4-yl]hydrazine?
The IUPAC name of [6-(3-methylphenoxy)-5-propan-2-ylpyrimidin-4-yl]hydrazine (CID 80916000) is [6-(3-methylphenoxy)-5-propan-2-ylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-(3-methylphenoxy)-5-propan-2-ylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-(3-methylphenoxy)-5-propan-2-ylpyrimidin-4-yl]hydrazine is Cc1cccc(Oc2ncnc(NN)c2C(C)C)c1.
What is the InChIKey of [6-(3-methylphenoxy)-5-propan-2-ylpyrimidin-4-yl]hydrazine?
The InChIKey is MTIMZNUQEXBYLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-9(2)12-13(18-15)16-8-17-14(12)19-11-6-4-5-10(3)7-11/h4-9H,15H2,1-3H3,(H,16,17,18).
What are the key properties of [6-(3-methylphenoxy)-5-propan-2-ylpyrimidin-4-yl]hydrazine?
[6-(3-methylphenoxy)-5-propan-2-ylpyrimidin-4-yl]hydrazine has a molecular weight of 258.32 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3-methylphenoxy)-5-propan-2-ylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 80916000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).