2-[(6-hydrazinyl-5-propylpyrimidin-4-yl)-methylamino]-N-methylacetamide

C11H20N6O — CID 80894065

IUPAC2-[(6-hydrazinyl-5-propylpyrimidin-4-yl)-methylamino]-N-methylacetamide
SMILESCCCc1c(NN)ncnc1N(C)CC(=O)NC
InChIInChI=1S/C11H20N6O/c1-4-5-8-10(16-12)14-7-15-11(8)17(3)6-9(18)13-2/h7H,4-6,12H2,1-3H3,(H,13,18)(H,14,15,16)
InChIKeyKMVMTFKVIMZCFP-UHFFFAOYSA-N
MW252.32 g/mol
LogP-0.10
Rot. Bonds6

About 2-[(6-hydrazinyl-5-propylpyrimidin-4-yl)-methylamino]-N-methylacetamide

2-[(6-hydrazinyl-5-propylpyrimidin-4-yl)-methylamino]-N-methylacetamide (PubChem CID 80894065) has the molecular formula C11H20N6O and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-[(6-hydrazinyl-5-propylpyrimidin-4-yl)-methylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[(6-hydrazinyl-5-propylpyrimidin-4-yl)-methylamino]-N-methylacetamide
PubChem CID80894065
Molecular FormulaC11H20N6O
Molecular Weight252.32 g/mol
Exact Mass252.17
IUPAC Name2-[(6-hydrazinyl-5-propylpyrimidin-4-yl)-methylamino]-N-methylacetamide
SMILESCCCc1c(NN)ncnc1N(C)CC(=O)NC
InChIInChI=1S/C11H20N6O/c1-4-5-8-10(16-12)14-7-15-11(8)17(3)6-9(18)13-2/h7H,4-6,12H2,1-3H3,(H,13,18)(H,14,15,16)
InChIKeyKMVMTFKVIMZCFP-UHFFFAOYSA-N
XLogP-0.10
TPSA96.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 5-0.10
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-[(6-hydrazinyl-5-propylpyrimidin-4-yl)-methylamino]-N,N-dimethylacetamide
CID 80894743
6-hydrazinyl-N,N-dimethyl-5-propylpyrimidin-4-amine
CID 80932720
2-[(6-amino-5-ethylpyrimidin-4-yl)-methylamino]-N-methylacetamide
CID 80780164
3-[(6-hydrazinyl-5-propylpyrimidin-4-yl)-methylamino]propanenitrile
CID 80916482
3-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)-methylamino]-N,2-dimethylpropanamide
CID 106918799
2-[(6-hydrazinyl-5-propylpyrimidin-4-yl)-methylamino]propan-1-ol
CID 104557148
N-ethyl-2-[[5-ethyl-6-(methylamino)pyrimidin-4-yl]-methylamino]acetamide
CID 80804475
N-[(4-fluorophenyl)methyl]-6-hydrazinyl-N-methyl-5-propylpyrimidin-4-amine
CID 80899566
6-hydrazinyl-N-methyl-N-pentan-2-yl-5-propylpyrimidin-4-amine
CID 80906528
6-hydrazinyl-N-methyl-5-propyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 80905798
N-[(4-bromothiophen-2-yl)methyl]-6-hydrazinyl-N-methyl-5-propylpyrimidin-4-amine
CID 80905130
6-hydrazinyl-N-methyl-N-(oxan-4-ylmethyl)-5-propylpyrimidin-4-amine
CID 80910226

Frequently Asked Questions

What is the IUPAC name of 2-[(6-hydrazinyl-5-propylpyrimidin-4-yl)-methylamino]-N-methylacetamide?
The IUPAC name of 2-[(6-hydrazinyl-5-propylpyrimidin-4-yl)-methylamino]-N-methylacetamide (CID 80894065) is 2-[(6-hydrazinyl-5-propylpyrimidin-4-yl)-methylamino]-N-methylacetamide.
What is the SMILES notation for 2-[(6-hydrazinyl-5-propylpyrimidin-4-yl)-methylamino]-N-methylacetamide?
The canonical SMILES for 2-[(6-hydrazinyl-5-propylpyrimidin-4-yl)-methylamino]-N-methylacetamide is CCCc1c(NN)ncnc1N(C)CC(=O)NC.
What is the InChIKey of 2-[(6-hydrazinyl-5-propylpyrimidin-4-yl)-methylamino]-N-methylacetamide?
The InChIKey is KMVMTFKVIMZCFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N6O/c1-4-5-8-10(16-12)14-7-15-11(8)17(3)6-9(18)13-2/h7H,4-6,12H2,1-3H3,(H,13,18)(H,14,15,16).
What are the key properties of 2-[(6-hydrazinyl-5-propylpyrimidin-4-yl)-methylamino]-N-methylacetamide?
2-[(6-hydrazinyl-5-propylpyrimidin-4-yl)-methylamino]-N-methylacetamide has a molecular weight of 252.32 g/mol, XLogP of -0.10, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-hydrazinyl-5-propylpyrimidin-4-yl)-methylamino]-N-methylacetamide is sourced from PubChem (CID 80894065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).