3-[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]-2-hydroxypropanamide

C7H11BrN6O2 — CID 106179503

IUPAC3-[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]-2-hydroxypropanamide
SMILESNNc1ncc(Br)c(NCC(O)C(N)=O)n1
InChIInChI=1S/C7H11BrN6O2/c8-3-1-12-7(14-10)13-6(3)11-2-4(15)5(9)16/h1,4,15H,2,10H2,(H2,9,16)(H2,11,12,13,14)
InChIKeyYVNIMFGURLVPIM-UHFFFAOYSA-N
MW291.11 g/mol
LogP-1.22
Rot. Bonds5

About 3-[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]-2-hydroxypropanamide

3-[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]-2-hydroxypropanamide (PubChem CID 106179503) has the molecular formula C7H11BrN6O2 and a molecular weight of 291.11 g/mol. Its IUPAC name is 3-[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]-2-hydroxypropanamide.

Molecular Properties

Compound Name3-[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]-2-hydroxypropanamide
PubChem CID106179503
Molecular FormulaC7H11BrN6O2
Molecular Weight291.11 g/mol
Exact Mass290.01
IUPAC Name3-[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]-2-hydroxypropanamide
SMILESNNc1ncc(Br)c(NCC(O)C(N)=O)n1
InChIInChI=1S/C7H11BrN6O2/c8-3-1-12-7(14-10)13-6(3)11-2-4(15)5(9)16/h1,4,15H,2,10H2,(H2,9,16)(H2,11,12,13,14)
InChIKeyYVNIMFGURLVPIM-UHFFFAOYSA-N
XLogP-1.22
TPSA139.18 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.11
LogP ≤ 5-1.22
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]-3-methoxypropan-2-ol
CID 80913402
5-[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]pentanamide
CID 106241957
5-bromo-2-hydrazinyl-N-(2-methyl-3-methylsulfanylpropyl)pyrimidin-4-amine
CID 80912407
3-[(2-hydrazinylquinazolin-4-yl)amino]-2-hydroxypropanamide
CID 114154625
3-[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol
CID 115366608
3-[(3-bromo-2-pyridinyl)amino]-2-hydroxypropanamide
CID 106170853
5-bromo-2-hydrazinyl-N-(3-methoxy-2-methylpropyl)pyrimidin-4-amine
CID 80908831
methyl 3-[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]propanoate
CID 80899107
[2-[[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]methyl]cyclopentyl]methanol
CID 80923968
3-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]-2-hydroxypropanamide
CID 106166830
3-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-2-hydroxypropanamide
CID 106179504
[1-[[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]methyl]cyclohexyl]methanol
CID 103968793

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]-2-hydroxypropanamide?
The IUPAC name of 3-[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]-2-hydroxypropanamide (CID 106179503) is 3-[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]-2-hydroxypropanamide.
What is the SMILES notation for 3-[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]-2-hydroxypropanamide?
The canonical SMILES for 3-[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]-2-hydroxypropanamide is NNc1ncc(Br)c(NCC(O)C(N)=O)n1.
What is the InChIKey of 3-[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]-2-hydroxypropanamide?
The InChIKey is YVNIMFGURLVPIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11BrN6O2/c8-3-1-12-7(14-10)13-6(3)11-2-4(15)5(9)16/h1,4,15H,2,10H2,(H2,9,16)(H2,11,12,13,14).
What are the key properties of 3-[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]-2-hydroxypropanamide?
3-[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]-2-hydroxypropanamide has a molecular weight of 291.11 g/mol, XLogP of -1.22, 5 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]-2-hydroxypropanamide is sourced from PubChem (CID 106179503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).