3-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide

C12H20N6O — CID 80964019

IUPAC3-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCNc1cc(NN)nc(C2CC2)n1
InChIInChI=1S/C12H20N6O/c1-18(2)11(19)5-6-14-9-7-10(17-13)16-12(15-9)8-3-4-8/h7-8H,3-6,13H2,1-2H3,(H2,14,15,16,17)
InChIKeyLKIAXEFOPQWGKV-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.53
Rot. Bonds6

About 3-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide

3-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide (PubChem CID 80964019) has the molecular formula C12H20N6O and a molecular weight of 264.33 g/mol. Its IUPAC name is 3-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide
PubChem CID80964019
Molecular FormulaC12H20N6O
Molecular Weight264.33 g/mol
Exact Mass264.17
IUPAC Name3-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCNc1cc(NN)nc(C2CC2)n1
InChIInChI=1S/C12H20N6O/c1-18(2)11(19)5-6-14-9-7-10(17-13)16-12(15-9)8-3-4-8/h7-8H,3-6,13H2,1-2H3,(H2,14,15,16,17)
InChIKeyLKIAXEFOPQWGKV-UHFFFAOYSA-N
XLogP0.53
TPSA96.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.53
H-Bond Donors ≤ 53
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

3-[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide
CID 80903463
3-[2-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]ethyl]-1,1-dimethylurea
CID 83118304
methyl 3-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]propanoate
CID 80964074
2-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]ethyl carbamate
CID 83215227
methyl 2-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]acetate
CID 80969747
2-cyclopropyl-6-hydrazinyl-N-pentylpyrimidin-4-amine
CID 80968524
2-cyclopropyl-6-hydrazinyl-N-(3-methylbutyl)pyrimidin-4-amine
CID 80969047
3-[[2-cyclopropyl-6-(ethylamino)-5-methylpyrimidin-4-yl]amino]-N,N-dimethylpropanamide
CID 80984218
N-(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)-N',N'-diethylpropane-1,3-diamine
CID 80968725
2-cyclopropyl-6-hydrazinyl-N-(2-methyl-2-methylsulfonylpropyl)pyrimidin-4-amine
CID 80969115
2-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]-N-ethylethanesulfonamide
CID 106341124
5-[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]amino]pentanamide
CID 106241630

Frequently Asked Questions

What is the IUPAC name of 3-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide?
The IUPAC name of 3-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide (CID 80964019) is 3-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide is CN(C)C(=O)CCNc1cc(NN)nc(C2CC2)n1.
What is the InChIKey of 3-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide?
The InChIKey is LKIAXEFOPQWGKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6O/c1-18(2)11(19)5-6-14-9-7-10(17-13)16-12(15-9)8-3-4-8/h7-8H,3-6,13H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 3-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide?
3-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide has a molecular weight of 264.33 g/mol, XLogP of 0.53, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide is sourced from PubChem (CID 80964019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).