N-(4-bromo-3-fluorophenyl)-2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-amine

C14H15BrFN5 — CID 81006460

IUPACN-(4-bromo-3-fluorophenyl)-2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-amine
SMILESCc1c(NN)nc(C2CC2)nc1Nc1ccc(Br)c(F)c1
InChIInChI=1S/C14H15BrFN5/c1-7-12(18-9-4-5-10(15)11(16)6-9)19-14(8-2-3-8)20-13(7)21-17/h4-6,8H,2-3,17H2,1H3,(H2,18,19,20,21)
InChIKeyXGFPEQNPXOJSNZ-UHFFFAOYSA-N
MW352.21 g/mol
LogP3.59
Rot. Bonds4

About N-(4-bromo-3-fluorophenyl)-2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-amine

N-(4-bromo-3-fluorophenyl)-2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-amine (PubChem CID 81006460) has the molecular formula C14H15BrFN5 and a molecular weight of 352.21 g/mol. Its IUPAC name is N-(4-bromo-3-fluorophenyl)-2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-bromo-3-fluorophenyl)-2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-amine
PubChem CID81006460
Molecular FormulaC14H15BrFN5
Molecular Weight352.21 g/mol
Exact Mass351.05
IUPAC NameN-(4-bromo-3-fluorophenyl)-2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-amine
SMILESCc1c(NN)nc(C2CC2)nc1Nc1ccc(Br)c(F)c1
InChIInChI=1S/C14H15BrFN5/c1-7-12(18-9-4-5-10(15)11(16)6-9)19-14(8-2-3-8)20-13(7)21-17/h4-6,8H,2-3,17H2,1H3,(H2,18,19,20,21)
InChIKeyXGFPEQNPXOJSNZ-UHFFFAOYSA-N
XLogP3.59
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.21
LogP ≤ 53.59
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 N-(4-bromo-3-fluorophenyl)-2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-amine?
The IUPAC name of N-(4-bromo-3-fluorophenyl)-2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-amine (CID 81006460) is N-(4-bromo-3-fluorophenyl)-2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-amine.
What is the SMILES notation for N-(4-bromo-3-fluorophenyl)-2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-amine?
The canonical SMILES for N-(4-bromo-3-fluorophenyl)-2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-amine is Cc1c(NN)nc(C2CC2)nc1Nc1ccc(Br)c(F)c1.
What is the InChIKey of N-(4-bromo-3-fluorophenyl)-2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-amine?
The InChIKey is XGFPEQNPXOJSNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrFN5/c1-7-12(18-9-4-5-10(15)11(16)6-9)19-14(8-2-3-8)20-13(7)21-17/h4-6,8H,2-3,17H2,1H3,(H2,18,19,20,21).
What are the key properties of N-(4-bromo-3-fluorophenyl)-2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-amine?
N-(4-bromo-3-fluorophenyl)-2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-amine has a molecular weight of 352.21 g/mol, XLogP of 3.59, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-fluorophenyl)-2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-amine is sourced from PubChem (CID 81006460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).