[6-(3-chlorophenoxy)-2-cyclopropyl-5-methylpyrimidin-4-yl]hydrazine

C14H15ClN4O — CID 81001078

IUPAC[6-(3-chlorophenoxy)-2-cyclopropyl-5-methylpyrimidin-4-yl]hydrazine
SMILESCc1c(NN)nc(C2CC2)nc1Oc1cccc(Cl)c1
InChIInChI=1S/C14H15ClN4O/c1-8-12(19-16)17-13(9-5-6-9)18-14(8)20-11-4-2-3-10(15)7-11/h2-4,7,9H,5-6,16H2,1H3,(H,17,18,19)
InChIKeyDBMBHFXEQFLFJS-UHFFFAOYSA-N
MW290.75 g/mol
LogP3.39
Rot. Bonds4

About [6-(3-chlorophenoxy)-2-cyclopropyl-5-methylpyrimidin-4-yl]hydrazine

[6-(3-chlorophenoxy)-2-cyclopropyl-5-methylpyrimidin-4-yl]hydrazine (PubChem CID 81001078) has the molecular formula C14H15ClN4O and a molecular weight of 290.75 g/mol. Its IUPAC name is [6-(3-chlorophenoxy)-2-cyclopropyl-5-methylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-(3-chlorophenoxy)-2-cyclopropyl-5-methylpyrimidin-4-yl]hydrazine
PubChem CID81001078
Molecular FormulaC14H15ClN4O
Molecular Weight290.75 g/mol
Exact Mass290.09
IUPAC Name[6-(3-chlorophenoxy)-2-cyclopropyl-5-methylpyrimidin-4-yl]hydrazine
SMILESCc1c(NN)nc(C2CC2)nc1Oc1cccc(Cl)c1
InChIInChI=1S/C14H15ClN4O/c1-8-12(19-16)17-13(9-5-6-9)18-14(8)20-11-4-2-3-10(15)7-11/h2-4,7,9H,5-6,16H2,1H3,(H,17,18,19)
InChIKeyDBMBHFXEQFLFJS-UHFFFAOYSA-N
XLogP3.39
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 53.39
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-(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)oxyphenyl]methanol
CID 81000736
[6-(5-chloro-2-methylphenoxy)-2-cyclopropyl-5-methylpyrimidin-4-yl]hydrazine
CID 81000980
[6-[(3-chlorophenyl)methoxy]-2-cyclopropyl-5-methylpyrimidin-4-yl]hydrazine
CID 81001537
[2-cyclopropyl-5-methyl-6-(4-methylphenoxy)pyrimidin-4-yl]hydrazine
CID 81000617
6-(3-bromophenoxy)-2-cyclopropyl-N,5-dimethylpyrimidin-4-amine
CID 80988395
[4-(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)oxyphenyl]methanol
CID 81000306
2-cyclopropyl-6-(3-fluorophenoxy)-5-methylpyrimidin-4-amine
CID 80988620
6-(4-chloro-3-methylphenoxy)-2-cyclopropyl-5-methylpyrimidin-4-amine
CID 80989341
[2-cyclopropyl-6-(1-ethylpyrazol-4-yl)oxy-5-methylpyrimidin-4-yl]hydrazine
CID 116806787
6-(3-chloro-4-fluorophenoxy)-2-cyclopropyl-5-methylpyrimidin-4-amine
CID 80990831
2-cyclopropyl-6-hydrazinyl-5-methyl-N-(3-methylphenyl)pyrimidin-4-amine
CID 81007517
2-cyclopropyl-6-(2,3-dimethylphenoxy)-N,5-dimethylpyrimidin-4-amine
CID 80988724

Frequently Asked Questions

What is the IUPAC name of [6-(3-chlorophenoxy)-2-cyclopropyl-5-methylpyrimidin-4-yl]hydrazine?
The IUPAC name of [6-(3-chlorophenoxy)-2-cyclopropyl-5-methylpyrimidin-4-yl]hydrazine (CID 81001078) is [6-(3-chlorophenoxy)-2-cyclopropyl-5-methylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-(3-chlorophenoxy)-2-cyclopropyl-5-methylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-(3-chlorophenoxy)-2-cyclopropyl-5-methylpyrimidin-4-yl]hydrazine is Cc1c(NN)nc(C2CC2)nc1Oc1cccc(Cl)c1.
What is the InChIKey of [6-(3-chlorophenoxy)-2-cyclopropyl-5-methylpyrimidin-4-yl]hydrazine?
The InChIKey is DBMBHFXEQFLFJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O/c1-8-12(19-16)17-13(9-5-6-9)18-14(8)20-11-4-2-3-10(15)7-11/h2-4,7,9H,5-6,16H2,1H3,(H,17,18,19).
What are the key properties of [6-(3-chlorophenoxy)-2-cyclopropyl-5-methylpyrimidin-4-yl]hydrazine?
[6-(3-chlorophenoxy)-2-cyclopropyl-5-methylpyrimidin-4-yl]hydrazine has a molecular weight of 290.75 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3-chlorophenoxy)-2-cyclopropyl-5-methylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 81001078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).