2-cyclopropyl-N-(2,6-dibromophenyl)-6-hydrazinyl-5-methylpyrimidin-4-amine

C14H15Br2N5 — CID 107604844

IUPAC2-cyclopropyl-N-(2,6-dibromophenyl)-6-hydrazinyl-5-methylpyrimidin-4-amine
SMILESCc1c(NN)nc(C2CC2)nc1Nc1c(Br)cccc1Br
InChIInChI=1S/C14H15Br2N5/c1-7-12(18-11-9(15)3-2-4-10(11)16)19-14(8-5-6-8)20-13(7)21-17/h2-4,8H,5-6,17H2,1H3,(H2,18,19,20,21)
InChIKeyXCSUPBUREPIERX-UHFFFAOYSA-N
MW413.12 g/mol
LogP4.22
Rot. Bonds4

About 2-cyclopropyl-N-(2,6-dibromophenyl)-6-hydrazinyl-5-methylpyrimidin-4-amine

2-cyclopropyl-N-(2,6-dibromophenyl)-6-hydrazinyl-5-methylpyrimidin-4-amine (PubChem CID 107604844) has the molecular formula C14H15Br2N5 and a molecular weight of 413.12 g/mol. Its IUPAC name is 2-cyclopropyl-N-(2,6-dibromophenyl)-6-hydrazinyl-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-(2,6-dibromophenyl)-6-hydrazinyl-5-methylpyrimidin-4-amine
PubChem CID107604844
Molecular FormulaC14H15Br2N5
Molecular Weight413.12 g/mol
Exact Mass410.97
IUPAC Name2-cyclopropyl-N-(2,6-dibromophenyl)-6-hydrazinyl-5-methylpyrimidin-4-amine
SMILESCc1c(NN)nc(C2CC2)nc1Nc1c(Br)cccc1Br
InChIInChI=1S/C14H15Br2N5/c1-7-12(18-11-9(15)3-2-4-10(11)16)19-14(8-5-6-8)20-13(7)21-17/h2-4,8H,5-6,17H2,1H3,(H2,18,19,20,21)
InChIKeyXCSUPBUREPIERX-UHFFFAOYSA-N
XLogP4.22
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.12
LogP ≤ 54.22
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-(2,6-dibromophenyl)-6-hydrazinyl-5-methylpyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-N-(2,6-dibromophenyl)-6-hydrazinyl-5-methylpyrimidin-4-amine (CID 107604844) is 2-cyclopropyl-N-(2,6-dibromophenyl)-6-hydrazinyl-5-methylpyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-N-(2,6-dibromophenyl)-6-hydrazinyl-5-methylpyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-N-(2,6-dibromophenyl)-6-hydrazinyl-5-methylpyrimidin-4-amine is Cc1c(NN)nc(C2CC2)nc1Nc1c(Br)cccc1Br.
What is the InChIKey of 2-cyclopropyl-N-(2,6-dibromophenyl)-6-hydrazinyl-5-methylpyrimidin-4-amine?
The InChIKey is XCSUPBUREPIERX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Br2N5/c1-7-12(18-11-9(15)3-2-4-10(11)16)19-14(8-5-6-8)20-13(7)21-17/h2-4,8H,5-6,17H2,1H3,(H2,18,19,20,21).
What are the key properties of 2-cyclopropyl-N-(2,6-dibromophenyl)-6-hydrazinyl-5-methylpyrimidin-4-amine?
2-cyclopropyl-N-(2,6-dibromophenyl)-6-hydrazinyl-5-methylpyrimidin-4-amine has a molecular weight of 413.12 g/mol, XLogP of 4.22, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-(2,6-dibromophenyl)-6-hydrazinyl-5-methylpyrimidin-4-amine is sourced from PubChem (CID 107604844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).