5-bromo-2-hydrazinyl-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyrimidin-4-amine

C12H21BrN6 — CID 80914649

IUPAC5-bromo-2-hydrazinyl-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyrimidin-4-amine
SMILESCN1CCC(CN(C)c2nc(NN)ncc2Br)CC1
InChIInChI=1S/C12H21BrN6/c1-18-5-3-9(4-6-18)8-19(2)11-10(13)7-15-12(16-11)17-14/h7,9H,3-6,8,14H2,1-2H3,(H,15,16,17)
InChIKeyRPECKXLFUIDHNH-UHFFFAOYSA-N
MW329.25 g/mol
LogP1.30
Rot. Bonds4

About 5-bromo-2-hydrazinyl-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyrimidin-4-amine

5-bromo-2-hydrazinyl-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyrimidin-4-amine (PubChem CID 80914649) has the molecular formula C12H21BrN6 and a molecular weight of 329.25 g/mol. Its IUPAC name is 5-bromo-2-hydrazinyl-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-hydrazinyl-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyrimidin-4-amine
PubChem CID80914649
Molecular FormulaC12H21BrN6
Molecular Weight329.25 g/mol
Exact Mass328.10
IUPAC Name5-bromo-2-hydrazinyl-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyrimidin-4-amine
SMILESCN1CCC(CN(C)c2nc(NN)ncc2Br)CC1
InChIInChI=1S/C12H21BrN6/c1-18-5-3-9(4-6-18)8-19(2)11-10(13)7-15-12(16-11)17-14/h7,9H,3-6,8,14H2,1-2H3,(H,15,16,17)
InChIKeyRPECKXLFUIDHNH-UHFFFAOYSA-N
XLogP1.30
TPSA70.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.25
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 5-bromo-2-hydrazinyl-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 5-bromo-2-hydrazinyl-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyrimidin-4-amine (CID 80914649) is 5-bromo-2-hydrazinyl-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-hydrazinyl-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-hydrazinyl-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyrimidin-4-amine is CN1CCC(CN(C)c2nc(NN)ncc2Br)CC1.
What is the InChIKey of 5-bromo-2-hydrazinyl-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyrimidin-4-amine?
The InChIKey is RPECKXLFUIDHNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21BrN6/c1-18-5-3-9(4-6-18)8-19(2)11-10(13)7-15-12(16-11)17-14/h7,9H,3-6,8,14H2,1-2H3,(H,15,16,17).
What are the key properties of 5-bromo-2-hydrazinyl-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyrimidin-4-amine?
5-bromo-2-hydrazinyl-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyrimidin-4-amine has a molecular weight of 329.25 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-hydrazinyl-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 80914649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).