2-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl-propylamino]-N-methylacetamide

C12H22N6O — CID 80655767

IUPAC2-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl-propylamino]-N-methylacetamide
SMILESCCCN(CC(=O)NC)Cc1nc(C)cc(NN)n1
InChIInChI=1S/C12H22N6O/c1-4-5-18(8-12(19)14-3)7-11-15-9(2)6-10(16-11)17-13/h6H,4-5,7-8,13H2,1-3H3,(H,14,19)(H,15,16,17)
InChIKeyZDIQHMVJBMTOIU-UHFFFAOYSA-N
MW266.35 g/mol
LogP0.03
Rot. Bonds7

About 2-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl-propylamino]-N-methylacetamide

2-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl-propylamino]-N-methylacetamide (PubChem CID 80655767) has the molecular formula C12H22N6O and a molecular weight of 266.35 g/mol. Its IUPAC name is 2-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl-propylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl-propylamino]-N-methylacetamide
PubChem CID80655767
Molecular FormulaC12H22N6O
Molecular Weight266.35 g/mol
Exact Mass266.19
IUPAC Name2-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl-propylamino]-N-methylacetamide
SMILESCCCN(CC(=O)NC)Cc1nc(C)cc(NN)n1
InChIInChI=1S/C12H22N6O/c1-4-5-18(8-12(19)14-3)7-11-15-9(2)6-10(16-11)17-13/h6H,4-5,7-8,13H2,1-3H3,(H,14,19)(H,15,16,17)
InChIKeyZDIQHMVJBMTOIU-UHFFFAOYSA-N
XLogP0.03
TPSA96.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 50.03
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

2-[(4-amino-6-methylpyrimidin-2-yl)methyl-propylamino]-N-methylacetamide
CID 80657671
N-ethyl-N-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]propan-1-amine
CID 80655474
2-[ethyl-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]amino]-N-propan-2-ylacetamide
CID 80656109
2-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl-propylamino]ethanol
CID 80658221
2-[cyanomethyl-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]amino]acetonitrile
CID 80655668
N-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-3-methyl-N-(3-methylbutyl)butan-1-amine
CID 107871100
N,6-dimethyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]pyrimidin-4-amine
CID 80657069
2-[(4-hydroxy-3,5-dimethylphenyl)methyl-propylamino]-N-methylacetamide
CID 82986749
2-[(3-aminophenyl)methyl-propylamino]-N-methylacetamide
CID 43459714
N-ethyl-2-[methyl-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]amino]acetamide
CID 80657553
2-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-propylamino]-N-methylacetamide
CID 114218012
2-[(6-amino-3-chloro-2-pyridinyl)methyl-propylamino]-N-methylacetamide
CID 62890998

Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl-propylamino]-N-methylacetamide?
The IUPAC name of 2-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl-propylamino]-N-methylacetamide (CID 80655767) is 2-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl-propylamino]-N-methylacetamide.
What is the SMILES notation for 2-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl-propylamino]-N-methylacetamide?
The canonical SMILES for 2-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl-propylamino]-N-methylacetamide is CCCN(CC(=O)NC)Cc1nc(C)cc(NN)n1.
What is the InChIKey of 2-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl-propylamino]-N-methylacetamide?
The InChIKey is ZDIQHMVJBMTOIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N6O/c1-4-5-18(8-12(19)14-3)7-11-15-9(2)6-10(16-11)17-13/h6H,4-5,7-8,13H2,1-3H3,(H,14,19)(H,15,16,17).
What are the key properties of 2-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl-propylamino]-N-methylacetamide?
2-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl-propylamino]-N-methylacetamide has a molecular weight of 266.35 g/mol, XLogP of 0.03, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl-propylamino]-N-methylacetamide is sourced from PubChem (CID 80655767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).