N-ethyl-2-[(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)amino]-N-methylacetamide

C12H22N6O — CID 114133543

IUPACN-ethyl-2-[(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)amino]-N-methylacetamide
SMILESCCN(C)C(=O)CNc1cc(NN)nc(C(C)C)n1
InChIInChI=1S/C12H22N6O/c1-5-18(4)11(19)7-14-9-6-10(17-13)16-12(15-9)8(2)3/h6,8H,5,7,13H2,1-4H3,(H2,14,15,16,17)
InChIKeyFPMJZFMCOCNYJJ-UHFFFAOYSA-N
MW266.35 g/mol
LogP0.78
Rot. Bonds6

About N-ethyl-2-[(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)amino]-N-methylacetamide

N-ethyl-2-[(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)amino]-N-methylacetamide (PubChem CID 114133543) has the molecular formula C12H22N6O and a molecular weight of 266.35 g/mol. Its IUPAC name is N-ethyl-2-[(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)amino]-N-methylacetamide.

Molecular Properties

Compound NameN-ethyl-2-[(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)amino]-N-methylacetamide
PubChem CID114133543
Molecular FormulaC12H22N6O
Molecular Weight266.35 g/mol
Exact Mass266.19
IUPAC NameN-ethyl-2-[(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)amino]-N-methylacetamide
SMILESCCN(C)C(=O)CNc1cc(NN)nc(C(C)C)n1
InChIInChI=1S/C12H22N6O/c1-5-18(4)11(19)7-14-9-6-10(17-13)16-12(15-9)8(2)3/h6,8H,5,7,13H2,1-4H3,(H2,14,15,16,17)
InChIKeyFPMJZFMCOCNYJJ-UHFFFAOYSA-N
XLogP0.78
TPSA96.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 50.78
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

N-(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine
CID 80969220
ethyl 2-[(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)amino]propanoate
CID 80964798
2-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)amino]-N,N-dimethylacetamide
CID 80954060
6-hydrazinyl-N-(3-methylbutyl)-2-propan-2-ylpyrimidin-4-amine
CID 80969046
2-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]-N-ethyl-N-methylacetamide
CID 114133921
3-[[(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)amino]methyl]pentan-1-ol
CID 80968493
N-[[1-(dimethylamino)cyclobutyl]methyl]-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine
CID 105421023
2-[ethyl-[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-N,N-dimethylacetamide
CID 80960984
methyl 2-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]propanoate
CID 80961777
2-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]ethylurea
CID 83117246
1-[(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)amino]-2,4-dimethylpentan-2-ol
CID 80969009
methyl 2-[[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]acetate
CID 80956565

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)amino]-N-methylacetamide?
The IUPAC name of N-ethyl-2-[(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)amino]-N-methylacetamide (CID 114133543) is N-ethyl-2-[(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)amino]-N-methylacetamide.
What is the SMILES notation for N-ethyl-2-[(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)amino]-N-methylacetamide?
The canonical SMILES for N-ethyl-2-[(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)amino]-N-methylacetamide is CCN(C)C(=O)CNc1cc(NN)nc(C(C)C)n1.
What is the InChIKey of N-ethyl-2-[(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)amino]-N-methylacetamide?
The InChIKey is FPMJZFMCOCNYJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N6O/c1-5-18(4)11(19)7-14-9-6-10(17-13)16-12(15-9)8(2)3/h6,8H,5,7,13H2,1-4H3,(H2,14,15,16,17).
What are the key properties of N-ethyl-2-[(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)amino]-N-methylacetamide?
N-ethyl-2-[(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)amino]-N-methylacetamide has a molecular weight of 266.35 g/mol, XLogP of 0.78, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)amino]-N-methylacetamide is sourced from PubChem (CID 114133543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).