[2-[(4-bromophenyl)methyl]-6-cyclopropylpyrimidin-4-yl]hydrazine

C14H15BrN4 — CID 55189625

IUPAC[2-[(4-bromophenyl)methyl]-6-cyclopropylpyrimidin-4-yl]hydrazine
SMILESNNc1cc(C2CC2)nc(Cc2ccc(Br)cc2)n1
InChIInChI=1S/C14H15BrN4/c15-11-5-1-9(2-6-11)7-13-17-12(10-3-4-10)8-14(18-13)19-16/h1-2,5-6,8,10H,3-4,7,16H2,(H,17,18,19)
InChIKeyHJYJIFOHQLNWAQ-UHFFFAOYSA-N
MW319.21 g/mol
LogP2.99
Rot. Bonds4

About [2-[(4-bromophenyl)methyl]-6-cyclopropylpyrimidin-4-yl]hydrazine

[2-[(4-bromophenyl)methyl]-6-cyclopropylpyrimidin-4-yl]hydrazine (PubChem CID 55189625) has the molecular formula C14H15BrN4 and a molecular weight of 319.21 g/mol. Its IUPAC name is [2-[(4-bromophenyl)methyl]-6-cyclopropylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-[(4-bromophenyl)methyl]-6-cyclopropylpyrimidin-4-yl]hydrazine
PubChem CID55189625
Molecular FormulaC14H15BrN4
Molecular Weight319.21 g/mol
Exact Mass318.05
IUPAC Name[2-[(4-bromophenyl)methyl]-6-cyclopropylpyrimidin-4-yl]hydrazine
SMILESNNc1cc(C2CC2)nc(Cc2ccc(Br)cc2)n1
InChIInChI=1S/C14H15BrN4/c15-11-5-1-9(2-6-11)7-13-17-12(10-3-4-10)8-14(18-13)19-16/h1-2,5-6,8,10H,3-4,7,16H2,(H,17,18,19)
InChIKeyHJYJIFOHQLNWAQ-UHFFFAOYSA-N
XLogP2.99
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.21
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[(4-bromophenyl)methyl]-6-cyclopropylpyrimidin-4-yl]hydrazine?
The IUPAC name of [2-[(4-bromophenyl)methyl]-6-cyclopropylpyrimidin-4-yl]hydrazine (CID 55189625) is [2-[(4-bromophenyl)methyl]-6-cyclopropylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-[(4-bromophenyl)methyl]-6-cyclopropylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-[(4-bromophenyl)methyl]-6-cyclopropylpyrimidin-4-yl]hydrazine is NNc1cc(C2CC2)nc(Cc2ccc(Br)cc2)n1.
What is the InChIKey of [2-[(4-bromophenyl)methyl]-6-cyclopropylpyrimidin-4-yl]hydrazine?
The InChIKey is HJYJIFOHQLNWAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN4/c15-11-5-1-9(2-6-11)7-13-17-12(10-3-4-10)8-14(18-13)19-16/h1-2,5-6,8,10H,3-4,7,16H2,(H,17,18,19).
What are the key properties of [2-[(4-bromophenyl)methyl]-6-cyclopropylpyrimidin-4-yl]hydrazine?
[2-[(4-bromophenyl)methyl]-6-cyclopropylpyrimidin-4-yl]hydrazine has a molecular weight of 319.21 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-bromophenyl)methyl]-6-cyclopropylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 55189625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).