5-[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]pentanamide

C9H15BrN6O — CID 106241957

IUPAC5-[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]pentanamide
SMILESNNc1ncc(Br)c(NCCCCC(N)=O)n1
InChIInChI=1S/C9H15BrN6O/c10-6-5-14-9(16-12)15-8(6)13-4-2-1-3-7(11)17/h5H,1-4,12H2,(H2,11,17)(H2,13,14,15,16)
InChIKeyHNPVFTOHSHVMRQ-UHFFFAOYSA-N
MW303.16 g/mol
LogP0.59
Rot. Bonds7

About 5-[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]pentanamide

5-[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]pentanamide (PubChem CID 106241957) has the molecular formula C9H15BrN6O and a molecular weight of 303.16 g/mol. Its IUPAC name is 5-[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]pentanamide.

Molecular Properties

Compound Name5-[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]pentanamide
PubChem CID106241957
Molecular FormulaC9H15BrN6O
Molecular Weight303.16 g/mol
Exact Mass302.05
IUPAC Name5-[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]pentanamide
SMILESNNc1ncc(Br)c(NCCCCC(N)=O)n1
InChIInChI=1S/C9H15BrN6O/c10-6-5-14-9(16-12)15-8(6)13-4-2-1-3-7(11)17/h5H,1-4,12H2,(H2,11,17)(H2,13,14,15,16)
InChIKeyHNPVFTOHSHVMRQ-UHFFFAOYSA-N
XLogP0.59
TPSA118.95 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.16
LogP ≤ 50.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-[[5-bromo-2-(ethylamino)pyrimidin-4-yl]amino]pentanamide
CID 114162870
5-[(2-hydrazinyl-5-methylpyrimidin-4-yl)amino]pentanamide
CID 106241936
methyl 3-[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]propanoate
CID 80899107
4-[(5-bromo-2-chloropyrimidin-4-yl)amino]butanamide
CID 79075455
5-[(5-bromopyrimidin-4-yl)amino]pentanamide
CID 103915031
3-[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]-2-hydroxypropanamide
CID 106179503
3-[[5-bromo-2-(3-fluoroanilino)pyrimidin-4-yl]amino]propanamide
CID 68621888
3-[[5-bromo-2-(methylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 80771885
N-(5-bromo-2-hydrazinylpyrimidin-4-yl)-N'-ethyl-N'-methylethane-1,2-diamine
CID 80918989
3-[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol
CID 115366608
5-bromo-4-N-decyl-2-N-methylpyrimidine-2,4-diamine
CID 80854822
5-bromo-2-hydrazinyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidin-4-amine
CID 80922898

Frequently Asked Questions

What is the IUPAC name of 5-[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]pentanamide?
The IUPAC name of 5-[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]pentanamide (CID 106241957) is 5-[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]pentanamide.
What is the SMILES notation for 5-[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]pentanamide?
The canonical SMILES for 5-[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]pentanamide is NNc1ncc(Br)c(NCCCCC(N)=O)n1.
What is the InChIKey of 5-[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]pentanamide?
The InChIKey is HNPVFTOHSHVMRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15BrN6O/c10-6-5-14-9(16-12)15-8(6)13-4-2-1-3-7(11)17/h5H,1-4,12H2,(H2,11,17)(H2,13,14,15,16).
What are the key properties of 5-[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]pentanamide?
5-[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]pentanamide has a molecular weight of 303.16 g/mol, XLogP of 0.59, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]pentanamide is sourced from PubChem (CID 106241957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).