[6-[(4-chlorophenyl)methoxy]-2-propan-2-ylpyrimidin-4-yl]hydrazine

C14H17ClN4O — CID 80980065

IUPAC[6-[(4-chlorophenyl)methoxy]-2-propan-2-ylpyrimidin-4-yl]hydrazine
SMILESCC(C)c1nc(NN)cc(OCc2ccc(Cl)cc2)n1
InChIInChI=1S/C14H17ClN4O/c1-9(2)14-17-12(19-16)7-13(18-14)20-8-10-3-5-11(15)6-4-10/h3-7,9H,8,16H2,1-2H3,(H,17,18,19)
InChIKeyAMGFHXCZWOVRCF-UHFFFAOYSA-N
MW292.77 g/mol
LogP3.12
Rot. Bonds5

About [6-[(4-chlorophenyl)methoxy]-2-propan-2-ylpyrimidin-4-yl]hydrazine

[6-[(4-chlorophenyl)methoxy]-2-propan-2-ylpyrimidin-4-yl]hydrazine (PubChem CID 80980065) has the molecular formula C14H17ClN4O and a molecular weight of 292.77 g/mol. Its IUPAC name is [6-[(4-chlorophenyl)methoxy]-2-propan-2-ylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-[(4-chlorophenyl)methoxy]-2-propan-2-ylpyrimidin-4-yl]hydrazine
PubChem CID80980065
Molecular FormulaC14H17ClN4O
Molecular Weight292.77 g/mol
Exact Mass292.11
IUPAC Name[6-[(4-chlorophenyl)methoxy]-2-propan-2-ylpyrimidin-4-yl]hydrazine
SMILESCC(C)c1nc(NN)cc(OCc2ccc(Cl)cc2)n1
InChIInChI=1S/C14H17ClN4O/c1-9(2)14-17-12(19-16)7-13(18-14)20-8-10-3-5-11(15)6-4-10/h3-7,9H,8,16H2,1-2H3,(H,17,18,19)
InChIKeyAMGFHXCZWOVRCF-UHFFFAOYSA-N
XLogP3.12
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 53.12
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-[(4-chlorophenyl)methylsulfanyl]-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 114793145
(2-propan-2-yl-6-prop-2-ynoxypyrimidin-4-yl)hydrazine
CID 80968837
[6-(3,5-dichlorophenoxy)-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80979166
[6-(4-chlorophenyl)sulfanyl-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80980286
(6-butan-2-yloxy-2-propan-2-ylpyrimidin-4-yl)hydrazine
CID 80969257
6-[(3-chlorophenyl)methoxy]-2-propan-2-ylpyrimidin-4-amine
CID 80963380
[6-[(E)-3-phenylprop-2-enoxy]-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80969533
[2-propan-2-yl-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-yl]hydrazine
CID 80979368
[6-(4-bromo-2-chlorophenoxy)-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80980378
[6-(4-bromophenoxy)-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80969261
6-(furan-2-ylmethoxy)-N-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80966171
[6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 102723712

Frequently Asked Questions

What is the IUPAC name of [6-[(4-chlorophenyl)methoxy]-2-propan-2-ylpyrimidin-4-yl]hydrazine?
The IUPAC name of [6-[(4-chlorophenyl)methoxy]-2-propan-2-ylpyrimidin-4-yl]hydrazine (CID 80980065) is [6-[(4-chlorophenyl)methoxy]-2-propan-2-ylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-[(4-chlorophenyl)methoxy]-2-propan-2-ylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-[(4-chlorophenyl)methoxy]-2-propan-2-ylpyrimidin-4-yl]hydrazine is CC(C)c1nc(NN)cc(OCc2ccc(Cl)cc2)n1.
What is the InChIKey of [6-[(4-chlorophenyl)methoxy]-2-propan-2-ylpyrimidin-4-yl]hydrazine?
The InChIKey is AMGFHXCZWOVRCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O/c1-9(2)14-17-12(19-16)7-13(18-14)20-8-10-3-5-11(15)6-4-10/h3-7,9H,8,16H2,1-2H3,(H,17,18,19).
What are the key properties of [6-[(4-chlorophenyl)methoxy]-2-propan-2-ylpyrimidin-4-yl]hydrazine?
[6-[(4-chlorophenyl)methoxy]-2-propan-2-ylpyrimidin-4-yl]hydrazine has a molecular weight of 292.77 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(4-chlorophenyl)methoxy]-2-propan-2-ylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 80980065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).