2-[ethyl-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)amino]-N,N-dimethylacetamide

C11H20N6OS — CID 80896124

IUPAC2-[ethyl-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)amino]-N,N-dimethylacetamide
SMILESCCN(CC(=O)N(C)C)c1cc(NN)nc(SC)n1
InChIInChI=1S/C11H20N6OS/c1-5-17(7-10(18)16(2)3)9-6-8(15-12)13-11(14-9)19-4/h6H,5,7,12H2,1-4H3,(H,13,14,15)
InChIKeyWMVSMSCPDKTWEB-UHFFFAOYSA-N
MW284.39 g/mol
LogP0.40
Rot. Bonds6

About 2-[ethyl-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)amino]-N,N-dimethylacetamide

2-[ethyl-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)amino]-N,N-dimethylacetamide (PubChem CID 80896124) has the molecular formula C11H20N6OS and a molecular weight of 284.39 g/mol. Its IUPAC name is 2-[ethyl-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[ethyl-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)amino]-N,N-dimethylacetamide
PubChem CID80896124
Molecular FormulaC11H20N6OS
Molecular Weight284.39 g/mol
Exact Mass284.14
IUPAC Name2-[ethyl-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)amino]-N,N-dimethylacetamide
SMILESCCN(CC(=O)N(C)C)c1cc(NN)nc(SC)n1
InChIInChI=1S/C11H20N6OS/c1-5-17(7-10(18)16(2)3)9-6-8(15-12)13-11(14-9)19-4/h6H,5,7,12H2,1-4H3,(H,13,14,15)
InChIKeyWMVSMSCPDKTWEB-UHFFFAOYSA-N
XLogP0.40
TPSA87.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.39
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-[ethyl-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)amino]-N-methylacetamide
CID 80895810
1-[ethyl-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)amino]-2-methylpropan-2-ol
CID 80923771
2-[[2-amino-6-(methylamino)pyrimidin-4-yl]-ethylamino]-N,N-dimethylacetamide
CID 80809651
1-[(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol
CID 80922994
N-ethyl-N-(furan-2-ylmethyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine
CID 80896307
2-[ethyl-[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]-N,N-dimethylacetamide
CID 80808678
2-[(6-amino-2-methylsulfanylpyrimidin-4-yl)-methylamino]-N,N-dimethylacetamide
CID 80778671
2-[ethyl-[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-N,N-dimethylacetamide
CID 80960984
N-ethyl-6-hydrazinyl-N-(3-methylphenyl)-2-methylsulfanylpyrimidin-4-amine
CID 80899281
2-[ethyl-[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]-N,N-dimethylacetamide
CID 102717832
2-[(2-aminopyrimidin-4-yl)-ethylamino]-N,N-dimethylacetamide
CID 80809739
2-[ethyl-(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]-N,N-dimethylacetamide
CID 137015594

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[ethyl-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)amino]-N,N-dimethylacetamide (CID 80896124) is 2-[ethyl-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[ethyl-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[ethyl-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)amino]-N,N-dimethylacetamide is CCN(CC(=O)N(C)C)c1cc(NN)nc(SC)n1.
What is the InChIKey of 2-[ethyl-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)amino]-N,N-dimethylacetamide?
The InChIKey is WMVSMSCPDKTWEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N6OS/c1-5-17(7-10(18)16(2)3)9-6-8(15-12)13-11(14-9)19-4/h6H,5,7,12H2,1-4H3,(H,13,14,15).
What are the key properties of 2-[ethyl-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)amino]-N,N-dimethylacetamide?
2-[ethyl-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)amino]-N,N-dimethylacetamide has a molecular weight of 284.39 g/mol, XLogP of 0.40, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)amino]-N,N-dimethylacetamide is sourced from PubChem (CID 80896124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).