3-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-2-hydroxypropanamide

C9H16N6O2 — CID 106179504

IUPAC3-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-2-hydroxypropanamide
SMILESCCc1c(NN)ncnc1NCC(O)C(N)=O
InChIInChI=1S/C9H16N6O2/c1-2-5-8(12-3-6(16)7(10)17)13-4-14-9(5)15-11/h4,6,16H,2-3,11H2,1H3,(H2,10,17)(H2,12,13,14,15)
InChIKeyTWXRAYLFRZGCJK-UHFFFAOYSA-N
MW240.27 g/mol
LogP-1.42
Rot. Bonds6

About 3-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-2-hydroxypropanamide

3-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-2-hydroxypropanamide (PubChem CID 106179504) has the molecular formula C9H16N6O2 and a molecular weight of 240.27 g/mol. Its IUPAC name is 3-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-2-hydroxypropanamide.

Molecular Properties

Compound Name3-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-2-hydroxypropanamide
PubChem CID106179504
Molecular FormulaC9H16N6O2
Molecular Weight240.27 g/mol
Exact Mass240.13
IUPAC Name3-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-2-hydroxypropanamide
SMILESCCc1c(NN)ncnc1NCC(O)C(N)=O
InChIInChI=1S/C9H16N6O2/c1-2-5-8(12-3-6(16)7(10)17)13-4-14-9(5)15-11/h4,6,16H,2-3,11H2,1H3,(H2,10,17)(H2,12,13,14,15)
InChIKeyTWXRAYLFRZGCJK-UHFFFAOYSA-N
XLogP-1.42
TPSA139.18 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 5-1.42
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-ethyl-6-hydrazinylpyrimidin-4-yl)amino]propan-2-ol
CID 80906559
3-[(6-hydrazinyl-5-methoxypyrimidin-4-yl)amino]-2-hydroxypropanamide
CID 106179516
5-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]pentan-2-ol
CID 106138738
3-[[6-(ethylamino)pyrimidin-4-yl]amino]-2-hydroxypropanamide
CID 106178960
2-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-N-methylpropanamide
CID 80897748
3-[(5-chloropyrimidin-4-yl)amino]-2-hydroxypropanamide
CID 106170483
2-[2-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]ethoxy]ethanol
CID 80918817
4-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-1-methoxybutan-2-ol
CID 106249039
3-[(6-amino-5-ethylpyrimidin-4-yl)amino]propane-1,2-diol
CID 80850758
5-ethyl-6-hydrazinyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)pyrimidin-4-amine
CID 80913903
3-[(6-aminoquinazolin-4-yl)amino]-2-hydroxypropanamide
CID 114152808
2-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)-propan-2-ylamino]acetamide
CID 80904395

Frequently Asked Questions

What is the IUPAC name of 3-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-2-hydroxypropanamide?
The IUPAC name of 3-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-2-hydroxypropanamide (CID 106179504) is 3-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-2-hydroxypropanamide.
What is the SMILES notation for 3-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-2-hydroxypropanamide?
The canonical SMILES for 3-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-2-hydroxypropanamide is CCc1c(NN)ncnc1NCC(O)C(N)=O.
What is the InChIKey of 3-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-2-hydroxypropanamide?
The InChIKey is TWXRAYLFRZGCJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N6O2/c1-2-5-8(12-3-6(16)7(10)17)13-4-14-9(5)15-11/h4,6,16H,2-3,11H2,1H3,(H2,10,17)(H2,12,13,14,15).
What are the key properties of 3-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-2-hydroxypropanamide?
3-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-2-hydroxypropanamide has a molecular weight of 240.27 g/mol, XLogP of -1.42, 6 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-2-hydroxypropanamide is sourced from PubChem (CID 106179504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).