[6-(4-chlorophenoxy)-5-methyl-2-propan-2-ylpyrimidin-4-yl]hydrazine

C14H17ClN4O — CID 81001302

IUPAC[6-(4-chlorophenoxy)-5-methyl-2-propan-2-ylpyrimidin-4-yl]hydrazine
SMILESCc1c(NN)nc(C(C)C)nc1Oc1ccc(Cl)cc1
InChIInChI=1S/C14H17ClN4O/c1-8(2)12-17-13(19-16)9(3)14(18-12)20-11-6-4-10(15)5-7-11/h4-8H,16H2,1-3H3,(H,17,18,19)
InChIKeyUALGKYRWHUHCQT-UHFFFAOYSA-N
MW292.77 g/mol
LogP3.64
Rot. Bonds4

About [6-(4-chlorophenoxy)-5-methyl-2-propan-2-ylpyrimidin-4-yl]hydrazine

[6-(4-chlorophenoxy)-5-methyl-2-propan-2-ylpyrimidin-4-yl]hydrazine (PubChem CID 81001302) has the molecular formula C14H17ClN4O and a molecular weight of 292.77 g/mol. Its IUPAC name is [6-(4-chlorophenoxy)-5-methyl-2-propan-2-ylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-(4-chlorophenoxy)-5-methyl-2-propan-2-ylpyrimidin-4-yl]hydrazine
PubChem CID81001302
Molecular FormulaC14H17ClN4O
Molecular Weight292.77 g/mol
Exact Mass292.11
IUPAC Name[6-(4-chlorophenoxy)-5-methyl-2-propan-2-ylpyrimidin-4-yl]hydrazine
SMILESCc1c(NN)nc(C(C)C)nc1Oc1ccc(Cl)cc1
InChIInChI=1S/C14H17ClN4O/c1-8(2)12-17-13(19-16)9(3)14(18-12)20-11-6-4-10(15)5-7-11/h4-8H,16H2,1-3H3,(H,17,18,19)
InChIKeyUALGKYRWHUHCQT-UHFFFAOYSA-N
XLogP3.64
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 53.64
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-(3,5-dimethylphenoxy)-5-methyl-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 81001190
[6-(4-bromo-2-chlorophenoxy)-5-methyl-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 81001299
[6-(2,5-dimethylpyrazol-3-yl)oxy-5-methyl-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 81346637
6-(5-chloro-2-methylphenoxy)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine
CID 80990394
[5-methyl-2-propan-2-yl-6-(1-propylpyrazol-4-yl)oxypyrimidin-4-yl]hydrazine
CID 116806864
6-(3-chloro-4-fluorophenoxy)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80990919
4-chloro-5-methyl-6-(4-methylsulfanylphenoxy)-2-propan-2-ylpyrimidine
CID 80973295
6-(3,5-dichlorophenoxy)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80988642
[6-(2,2-difluoroethoxy)-5-methyl-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 82010198
6-(4-chlorophenoxy)-2-propan-2-ylpyrimidin-4-amine
CID 80965679
6-(4-ethoxyphenoxy)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80988578
[5-methyl-6-(4-methylcyclohexyl)oxy-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 81001712

Frequently Asked Questions

What is the IUPAC name of [6-(4-chlorophenoxy)-5-methyl-2-propan-2-ylpyrimidin-4-yl]hydrazine?
The IUPAC name of [6-(4-chlorophenoxy)-5-methyl-2-propan-2-ylpyrimidin-4-yl]hydrazine (CID 81001302) is [6-(4-chlorophenoxy)-5-methyl-2-propan-2-ylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-(4-chlorophenoxy)-5-methyl-2-propan-2-ylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-(4-chlorophenoxy)-5-methyl-2-propan-2-ylpyrimidin-4-yl]hydrazine is Cc1c(NN)nc(C(C)C)nc1Oc1ccc(Cl)cc1.
What is the InChIKey of [6-(4-chlorophenoxy)-5-methyl-2-propan-2-ylpyrimidin-4-yl]hydrazine?
The InChIKey is UALGKYRWHUHCQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O/c1-8(2)12-17-13(19-16)9(3)14(18-12)20-11-6-4-10(15)5-7-11/h4-8H,16H2,1-3H3,(H,17,18,19).
What are the key properties of [6-(4-chlorophenoxy)-5-methyl-2-propan-2-ylpyrimidin-4-yl]hydrazine?
[6-(4-chlorophenoxy)-5-methyl-2-propan-2-ylpyrimidin-4-yl]hydrazine has a molecular weight of 292.77 g/mol, XLogP of 3.64, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-chlorophenoxy)-5-methyl-2-propan-2-ylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 81001302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).