[2-cyclopropyl-6-(2,4-dibromophenoxy)-5-methylpyrimidin-4-yl]hydrazine

C14H14Br2N4O — CID 81000209

IUPAC[2-cyclopropyl-6-(2,4-dibromophenoxy)-5-methylpyrimidin-4-yl]hydrazine
SMILESCc1c(NN)nc(C2CC2)nc1Oc1ccc(Br)cc1Br
InChIInChI=1S/C14H14Br2N4O/c1-7-12(20-17)18-13(8-2-3-8)19-14(7)21-11-5-4-9(15)6-10(11)16/h4-6,8H,2-3,17H2,1H3,(H,18,19,20)
InChIKeyHBTJEWRPWILRKQ-UHFFFAOYSA-N
MW414.10 g/mol
LogP4.27
Rot. Bonds4

About [2-cyclopropyl-6-(2,4-dibromophenoxy)-5-methylpyrimidin-4-yl]hydrazine

[2-cyclopropyl-6-(2,4-dibromophenoxy)-5-methylpyrimidin-4-yl]hydrazine (PubChem CID 81000209) has the molecular formula C14H14Br2N4O and a molecular weight of 414.10 g/mol. Its IUPAC name is [2-cyclopropyl-6-(2,4-dibromophenoxy)-5-methylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-cyclopropyl-6-(2,4-dibromophenoxy)-5-methylpyrimidin-4-yl]hydrazine
PubChem CID81000209
Molecular FormulaC14H14Br2N4O
Molecular Weight414.10 g/mol
Exact Mass411.95
IUPAC Name[2-cyclopropyl-6-(2,4-dibromophenoxy)-5-methylpyrimidin-4-yl]hydrazine
SMILESCc1c(NN)nc(C2CC2)nc1Oc1ccc(Br)cc1Br
InChIInChI=1S/C14H14Br2N4O/c1-7-12(20-17)18-13(8-2-3-8)19-14(7)21-11-5-4-9(15)6-10(11)16/h4-6,8H,2-3,17H2,1H3,(H,18,19,20)
InChIKeyHBTJEWRPWILRKQ-UHFFFAOYSA-N
XLogP4.27
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.10
LogP ≤ 54.27
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-(5-chloro-2-methylphenoxy)-2-cyclopropyl-5-methylpyrimidin-4-yl]hydrazine
CID 81000980
[2-cyclopropyl-5-methyl-6-(4-methylphenoxy)pyrimidin-4-yl]hydrazine
CID 81000617
6-(5-bromo-2-chlorophenoxy)-2-cyclopropyl-N,5-dimethylpyrimidin-4-amine
CID 80990914
4-(4-bromo-2-chlorophenoxy)-6-chloro-2-cyclopropyl-5-methylpyrimidine
CID 80974321
[4-(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)oxyphenyl]methanol
CID 81000306
[6-(3-chlorophenoxy)-2-cyclopropyl-5-methylpyrimidin-4-yl]hydrazine
CID 81001078
[3-(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)oxyphenyl]methanol
CID 81000736
6-(3-bromophenoxy)-2-cyclopropyl-N,5-dimethylpyrimidin-4-amine
CID 80988395
[6-(5-bromo-2-methylphenoxy)-2,5-dimethylpyrimidin-4-yl]hydrazine
CID 107287696
[6-(3-bromophenyl)sulfanyl-2-cyclopropyl-5-methylpyrimidin-4-yl]hydrazine
CID 81001755
2-cyclopropyl-N-(2,6-dibromophenyl)-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 107604844
N-(4-bromo-3-fluorophenyl)-2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 81006460

Frequently Asked Questions

What is the IUPAC name of [2-cyclopropyl-6-(2,4-dibromophenoxy)-5-methylpyrimidin-4-yl]hydrazine?
The IUPAC name of [2-cyclopropyl-6-(2,4-dibromophenoxy)-5-methylpyrimidin-4-yl]hydrazine (CID 81000209) is [2-cyclopropyl-6-(2,4-dibromophenoxy)-5-methylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-cyclopropyl-6-(2,4-dibromophenoxy)-5-methylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-cyclopropyl-6-(2,4-dibromophenoxy)-5-methylpyrimidin-4-yl]hydrazine is Cc1c(NN)nc(C2CC2)nc1Oc1ccc(Br)cc1Br.
What is the InChIKey of [2-cyclopropyl-6-(2,4-dibromophenoxy)-5-methylpyrimidin-4-yl]hydrazine?
The InChIKey is HBTJEWRPWILRKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Br2N4O/c1-7-12(20-17)18-13(8-2-3-8)19-14(7)21-11-5-4-9(15)6-10(11)16/h4-6,8H,2-3,17H2,1H3,(H,18,19,20).
What are the key properties of [2-cyclopropyl-6-(2,4-dibromophenoxy)-5-methylpyrimidin-4-yl]hydrazine?
[2-cyclopropyl-6-(2,4-dibromophenoxy)-5-methylpyrimidin-4-yl]hydrazine has a molecular weight of 414.10 g/mol, XLogP of 4.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-cyclopropyl-6-(2,4-dibromophenoxy)-5-methylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 81000209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).