2-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-N-propylpropanamide

C11H20N6O — CID 80896950

IUPAC2-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)Nc1ncnc(NN)c1C
InChIInChI=1S/C11H20N6O/c1-4-5-13-11(18)8(3)16-9-7(2)10(17-12)15-6-14-9/h6,8H,4-5,12H2,1-3H3,(H,13,18)(H2,14,15,16,17)
InChIKeyPJPPMWVZEVAFAV-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.40
Rot. Bonds6

About 2-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-N-propylpropanamide

2-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-N-propylpropanamide (PubChem CID 80896950) has the molecular formula C11H20N6O and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-N-propylpropanamide.

Molecular Properties

Compound Name2-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-N-propylpropanamide
PubChem CID80896950
Molecular FormulaC11H20N6O
Molecular Weight252.32 g/mol
Exact Mass252.17
IUPAC Name2-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)Nc1ncnc(NN)c1C
InChIInChI=1S/C11H20N6O/c1-4-5-13-11(18)8(3)16-9-7(2)10(17-12)15-6-14-9/h6,8H,4-5,12H2,1-3H3,(H,13,18)(H2,14,15,16,17)
InChIKeyPJPPMWVZEVAFAV-UHFFFAOYSA-N
XLogP0.40
TPSA104.96 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.40
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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Related Compounds

methyl 2-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]propanoate
CID 80897187
2-[(6-amino-5-ethylpyrimidin-4-yl)amino]-N-propylpropanamide
CID 80800536
2-[(6-amino-5-chloropyrimidin-4-yl)amino]-N-propylpropanamide
CID 114049769
2-[(5-bromopyrimidin-4-yl)amino]-N-propylpropanamide
CID 66340999
2-[[5-ethyl-6-(methylamino)pyrimidin-4-yl]amino]-N-propylpropanamide
CID 80801346
2-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-N-methylpropanamide
CID 80897748
N-heptan-2-yl-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 80897379
2-[(3-carbamothioylpyrazin-2-yl)amino]-N-propylpropanamide
CID 62683434
2-[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]-N-propylpropanamide
CID 80897487
2-N-(6-hydrazinyl-5-methylpyrimidin-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 82949727
2-[(6-hydrazinylpyrazin-2-yl)amino]-N-propylpropanamide
CID 80897636
N-ethyl-2-[[6-(ethylamino)-5-propylpyrimidin-4-yl]amino]propanamide
CID 80800852

Frequently Asked Questions

What is the IUPAC name of 2-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-N-propylpropanamide?
The IUPAC name of 2-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-N-propylpropanamide (CID 80896950) is 2-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-N-propylpropanamide.
What is the SMILES notation for 2-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-N-propylpropanamide?
The canonical SMILES for 2-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-N-propylpropanamide is CCCNC(=O)C(C)Nc1ncnc(NN)c1C.
What is the InChIKey of 2-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-N-propylpropanamide?
The InChIKey is PJPPMWVZEVAFAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N6O/c1-4-5-13-11(18)8(3)16-9-7(2)10(17-12)15-6-14-9/h6,8H,4-5,12H2,1-3H3,(H,13,18)(H2,14,15,16,17).
What are the key properties of 2-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-N-propylpropanamide?
2-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-N-propylpropanamide has a molecular weight of 252.32 g/mol, XLogP of 0.40, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-N-propylpropanamide is sourced from PubChem (CID 80896950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).