[4-(5-methyl-2-propan-2-ylphenoxy)pyrimidin-2-yl]hydrazine

C14H18N4O — CID 80915964

IUPAC[4-(5-methyl-2-propan-2-ylphenoxy)pyrimidin-2-yl]hydrazine
SMILESCc1ccc(C(C)C)c(Oc2ccnc(NN)n2)c1
InChIInChI=1S/C14H18N4O/c1-9(2)11-5-4-10(3)8-12(11)19-13-6-7-16-14(17-13)18-15/h4-9H,15H2,1-3H3,(H,16,17,18)
InChIKeyHDKKAMBKOVCKBU-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.99
Rot. Bonds4

About [4-(5-methyl-2-propan-2-ylphenoxy)pyrimidin-2-yl]hydrazine

[4-(5-methyl-2-propan-2-ylphenoxy)pyrimidin-2-yl]hydrazine (PubChem CID 80915964) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is [4-(5-methyl-2-propan-2-ylphenoxy)pyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-(5-methyl-2-propan-2-ylphenoxy)pyrimidin-2-yl]hydrazine
PubChem CID80915964
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name[4-(5-methyl-2-propan-2-ylphenoxy)pyrimidin-2-yl]hydrazine
SMILESCc1ccc(C(C)C)c(Oc2ccnc(NN)n2)c1
InChIInChI=1S/C14H18N4O/c1-9(2)11-5-4-10(3)8-12(11)19-13-6-7-16-14(17-13)18-15/h4-9H,15H2,1-3H3,(H,16,17,18)
InChIKeyHDKKAMBKOVCKBU-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

[4-(4-methyl-2-nitrophenoxy)pyrimidin-2-yl]hydrazine
CID 80920014
[4-(5-chloro-2-methylphenoxy)pyrimidin-2-yl]hydrazine
CID 80922000
[4-(2-butan-2-ylphenoxy)pyrimidin-2-yl]hydrazine
CID 80916193
[5-methyl-6-(5-methyl-2-propan-2-ylphenoxy)pyrimidin-4-yl]hydrazine
CID 80915965
4-chloro-2-methyl-6-(5-methyl-2-propan-2-ylphenoxy)pyrimidine
CID 62481702
[4-(2,4-dibromophenoxy)pyrimidin-2-yl]hydrazine
CID 80922224
[4-(2,4-difluorophenoxy)pyrimidin-2-yl]hydrazine
CID 80917292
N-methyl-6-(5-methyl-2-propan-2-ylphenoxy)pyrazin-2-amine
CID 80863610
6-(5-methyl-2-propan-2-ylphenoxy)-2-methylsulfanylpyrimidin-4-amine
CID 80864015
2-(5-methyl-2-propan-2-ylphenoxy)pyrimidine-4-carbothioamide
CID 107548433
4-N-ethyl-6-(5-methyl-2-propan-2-ylphenoxy)pyrimidine-2,4-diamine
CID 80866048
2-ethyl-6-(5-methyl-2-propan-2-ylphenoxy)pyrimidin-4-amine
CID 80941059

Frequently Asked Questions

What is the IUPAC name of [4-(5-methyl-2-propan-2-ylphenoxy)pyrimidin-2-yl]hydrazine?
The IUPAC name of [4-(5-methyl-2-propan-2-ylphenoxy)pyrimidin-2-yl]hydrazine (CID 80915964) is [4-(5-methyl-2-propan-2-ylphenoxy)pyrimidin-2-yl]hydrazine.
What is the SMILES notation for [4-(5-methyl-2-propan-2-ylphenoxy)pyrimidin-2-yl]hydrazine?
The canonical SMILES for [4-(5-methyl-2-propan-2-ylphenoxy)pyrimidin-2-yl]hydrazine is Cc1ccc(C(C)C)c(Oc2ccnc(NN)n2)c1.
What is the InChIKey of [4-(5-methyl-2-propan-2-ylphenoxy)pyrimidin-2-yl]hydrazine?
The InChIKey is HDKKAMBKOVCKBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-9(2)11-5-4-10(3)8-12(11)19-13-6-7-16-14(17-13)18-15/h4-9H,15H2,1-3H3,(H,16,17,18).
What are the key properties of [4-(5-methyl-2-propan-2-ylphenoxy)pyrimidin-2-yl]hydrazine?
[4-(5-methyl-2-propan-2-ylphenoxy)pyrimidin-2-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 [4-(5-methyl-2-propan-2-ylphenoxy)pyrimidin-2-yl]hydrazine is sourced from PubChem (CID 80915964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).