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

C13H14Cl2N4O — CID 80979166

IUPAC[6-(3,5-dichlorophenoxy)-2-propan-2-ylpyrimidin-4-yl]hydrazine
SMILESCC(C)c1nc(NN)cc(Oc2cc(Cl)cc(Cl)c2)n1
InChIInChI=1S/C13H14Cl2N4O/c1-7(2)13-17-11(19-16)6-12(18-13)20-10-4-8(14)3-9(15)5-10/h3-7H,16H2,1-2H3,(H,17,18,19)
InChIKeyHJGZWOCUTYFHRG-UHFFFAOYSA-N
MW313.19 g/mol
LogP3.98
Rot. Bonds4

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

[6-(3,5-dichlorophenoxy)-2-propan-2-ylpyrimidin-4-yl]hydrazine (PubChem CID 80979166) has the molecular formula C13H14Cl2N4O and a molecular weight of 313.19 g/mol. Its IUPAC name is [6-(3,5-dichlorophenoxy)-2-propan-2-ylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-(3,5-dichlorophenoxy)-2-propan-2-ylpyrimidin-4-yl]hydrazine
PubChem CID80979166
Molecular FormulaC13H14Cl2N4O
Molecular Weight313.19 g/mol
Exact Mass312.05
IUPAC Name[6-(3,5-dichlorophenoxy)-2-propan-2-ylpyrimidin-4-yl]hydrazine
SMILESCC(C)c1nc(NN)cc(Oc2cc(Cl)cc(Cl)c2)n1
InChIInChI=1S/C13H14Cl2N4O/c1-7(2)13-17-11(19-16)6-12(18-13)20-10-4-8(14)3-9(15)5-10/h3-7H,16H2,1-2H3,(H,17,18,19)
InChIKeyHJGZWOCUTYFHRG-UHFFFAOYSA-N
XLogP3.98
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.19
LogP ≤ 53.98
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'}

Analyze [6-(3,5-dichlorophenoxy)-2-propan-2-ylpyrimidin-4-yl]hydrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[6-(4-bromophenoxy)-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80969261
[6-(4-bromo-2-chlorophenoxy)-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80980378
6-[(5-chloro-3-pyridinyl)oxy]-N-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80963382
[6-[(4-chlorophenyl)methoxy]-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80980065
(2-propan-2-yl-6-prop-2-ynoxypyrimidin-4-yl)hydrazine
CID 80968837
[6-(2-iodophenoxy)-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80980270
6-(4-chlorophenoxy)-2-propan-2-ylpyrimidin-4-amine
CID 80965679
(6-butan-2-yloxy-2-propan-2-ylpyrimidin-4-yl)hydrazine
CID 80969257
[6-(2,3-dimethylphenoxy)-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80968329
[6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 102723712
[6-(5-bromo-2-methylphenoxy)-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 107287677
4-hydrazinyl-6-(3-methyl-4-propan-2-ylphenoxy)pyrimidin-2-amine
CID 80915422

Frequently Asked Questions

What is the IUPAC name of [6-(3,5-dichlorophenoxy)-2-propan-2-ylpyrimidin-4-yl]hydrazine?
The IUPAC name of [6-(3,5-dichlorophenoxy)-2-propan-2-ylpyrimidin-4-yl]hydrazine (CID 80979166) is [6-(3,5-dichlorophenoxy)-2-propan-2-ylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-(3,5-dichlorophenoxy)-2-propan-2-ylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-(3,5-dichlorophenoxy)-2-propan-2-ylpyrimidin-4-yl]hydrazine is CC(C)c1nc(NN)cc(Oc2cc(Cl)cc(Cl)c2)n1.
What is the InChIKey of [6-(3,5-dichlorophenoxy)-2-propan-2-ylpyrimidin-4-yl]hydrazine?
The InChIKey is HJGZWOCUTYFHRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N4O/c1-7(2)13-17-11(19-16)6-12(18-13)20-10-4-8(14)3-9(15)5-10/h3-7H,16H2,1-2H3,(H,17,18,19).
What are the key properties of [6-(3,5-dichlorophenoxy)-2-propan-2-ylpyrimidin-4-yl]hydrazine?
[6-(3,5-dichlorophenoxy)-2-propan-2-ylpyrimidin-4-yl]hydrazine has a molecular weight of 313.19 g/mol, XLogP of 3.98, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3,5-dichlorophenoxy)-2-propan-2-ylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 80979166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).