3-[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-N-(2-methylpropyl)propanamide

C13H24N6O — CID 113411201

IUPAC3-[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-N-(2-methylpropyl)propanamide
SMILESCCc1nc(NN)cc(NCCC(=O)NCC(C)C)n1
InChIInChI=1S/C13H24N6O/c1-4-10-17-11(7-12(18-10)19-14)15-6-5-13(20)16-8-9(2)3/h7,9H,4-6,8,14H2,1-3H3,(H,16,20)(H2,15,17,18,19)
InChIKeyCCFQSQRNAHLUSC-UHFFFAOYSA-N
MW280.38 g/mol
LogP0.90
Rot. Bonds8

About 3-[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-N-(2-methylpropyl)propanamide

3-[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-N-(2-methylpropyl)propanamide (PubChem CID 113411201) has the molecular formula C13H24N6O and a molecular weight of 280.38 g/mol. Its IUPAC name is 3-[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name3-[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-N-(2-methylpropyl)propanamide
PubChem CID113411201
Molecular FormulaC13H24N6O
Molecular Weight280.38 g/mol
Exact Mass280.20
IUPAC Name3-[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-N-(2-methylpropyl)propanamide
SMILESCCc1nc(NN)cc(NCCC(=O)NCC(C)C)n1
InChIInChI=1S/C13H24N6O/c1-4-10-17-11(7-12(18-10)19-14)15-6-5-13(20)16-8-9(2)3/h7,9H,4-6,8,14H2,1-3H3,(H,16,20)(H2,15,17,18,19)
InChIKeyCCFQSQRNAHLUSC-UHFFFAOYSA-N
XLogP0.90
TPSA104.96 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 50.90
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 3-[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-N-(2-methylpropyl)propanamide?
The IUPAC name of 3-[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-N-(2-methylpropyl)propanamide (CID 113411201) is 3-[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 3-[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-N-(2-methylpropyl)propanamide?
The canonical SMILES for 3-[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-N-(2-methylpropyl)propanamide is CCc1nc(NN)cc(NCCC(=O)NCC(C)C)n1.
What is the InChIKey of 3-[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-N-(2-methylpropyl)propanamide?
The InChIKey is CCFQSQRNAHLUSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N6O/c1-4-10-17-11(7-12(18-10)19-14)15-6-5-13(20)16-8-9(2)3/h7,9H,4-6,8,14H2,1-3H3,(H,16,20)(H2,15,17,18,19).
What are the key properties of 3-[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-N-(2-methylpropyl)propanamide?
3-[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-N-(2-methylpropyl)propanamide has a molecular weight of 280.38 g/mol, XLogP of 0.90, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 113411201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).