2-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-N-methylpropanamide

C10H18N6O — CID 80897748

IUPAC2-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-N-methylpropanamide
SMILESCCc1c(NN)ncnc1NC(C)C(=O)NC
InChIInChI=1S/C10H18N6O/c1-4-7-8(13-5-14-9(7)16-11)15-6(2)10(17)12-3/h5-6H,4,11H2,1-3H3,(H,12,17)(H2,13,14,15,16)
InChIKeySPAHWRVNPLKWRZ-UHFFFAOYSA-N
MW238.29 g/mol
LogP-0.13
Rot. Bonds5

About 2-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-N-methylpropanamide

2-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-N-methylpropanamide (PubChem CID 80897748) has the molecular formula C10H18N6O and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-N-methylpropanamide.

Molecular Properties

Compound Name2-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-N-methylpropanamide
PubChem CID80897748
Molecular FormulaC10H18N6O
Molecular Weight238.29 g/mol
Exact Mass238.15
IUPAC Name2-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-N-methylpropanamide
SMILESCCc1c(NN)ncnc1NC(C)C(=O)NC
InChIInChI=1S/C10H18N6O/c1-4-7-8(13-5-14-9(7)16-11)15-6(2)10(17)12-3/h5-6H,4,11H2,1-3H3,(H,12,17)(H2,13,14,15,16)
InChIKeySPAHWRVNPLKWRZ-UHFFFAOYSA-N
XLogP-0.13
TPSA104.96 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 5-0.13
H-Bond Donors ≤ 54
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 2-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-N-methylpropanamide?
The IUPAC name of 2-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-N-methylpropanamide (CID 80897748) is 2-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-N-methylpropanamide.
What is the SMILES notation for 2-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-N-methylpropanamide?
The canonical SMILES for 2-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-N-methylpropanamide is CCc1c(NN)ncnc1NC(C)C(=O)NC.
What is the InChIKey of 2-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-N-methylpropanamide?
The InChIKey is SPAHWRVNPLKWRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N6O/c1-4-7-8(13-5-14-9(7)16-11)15-6(2)10(17)12-3/h5-6H,4,11H2,1-3H3,(H,12,17)(H2,13,14,15,16).
What are the key properties of 2-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-N-methylpropanamide?
2-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-N-methylpropanamide has a molecular weight of 238.29 g/mol, XLogP of -0.13, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-N-methylpropanamide is sourced from PubChem (CID 80897748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).