N'-ethyl-N-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)-N'-methylethane-1,2-diamine

C10H20N6S — CID 80919066

IUPACN'-ethyl-N-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)-N'-methylethane-1,2-diamine
SMILESCCN(C)CCNc1cc(NN)nc(SC)n1
InChIInChI=1S/C10H20N6S/c1-4-16(2)6-5-12-8-7-9(15-11)14-10(13-8)17-3/h7H,4-6,11H2,1-3H3,(H2,12,13,14,15)
InChIKeyLOUHOTFRECJNFD-UHFFFAOYSA-N
MW256.38 g/mol
LogP0.85
Rot. Bonds7

About N'-ethyl-N-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)-N'-methylethane-1,2-diamine

N'-ethyl-N-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)-N'-methylethane-1,2-diamine (PubChem CID 80919066) has the molecular formula C10H20N6S and a molecular weight of 256.38 g/mol. Its IUPAC name is N'-ethyl-N-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)-N'-methylethane-1,2-diamine
PubChem CID80919066
Molecular FormulaC10H20N6S
Molecular Weight256.38 g/mol
Exact Mass256.15
IUPAC NameN'-ethyl-N-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)-N'-methylethane-1,2-diamine
SMILESCCN(C)CCNc1cc(NN)nc(SC)n1
InChIInChI=1S/C10H20N6S/c1-4-16(2)6-5-12-8-7-9(15-11)14-10(13-8)17-3/h7H,4-6,11H2,1-3H3,(H2,12,13,14,15)
InChIKeyLOUHOTFRECJNFD-UHFFFAOYSA-N
XLogP0.85
TPSA79.10 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.38
LogP ≤ 50.85
H-Bond Donors ≤ 53
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

N-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 80919403
4-N-[4-(dimethylamino)butyl]-6-N-ethyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80817211
1-(dimethylamino)-3-[(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)amino]-2-methylpropan-2-ol
CID 114150416
6-hydrazinyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-2-methylsulfanylpyrimidin-4-amine
CID 106106929
4-N-[2-(dimethylamino)ethyl]-6-hydrazinylpyrimidine-2,4-diamine
CID 80932754
1-[(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)amino]propan-2-ol
CID 80907263
N-(2,3-dimethylbutyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine
CID 80918315
6-hydrazinyl-N-(3-methyl-2-propan-2-ylbutyl)-2-methylsulfanylpyrimidin-4-amine
CID 102909009
N'-ethyl-N-[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]-N'-methylethane-1,2-diamine
CID 114567188
6-hydrazinyl-2-methylsulfanyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidin-4-amine
CID 80922985
N-benzyl-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine
CID 80932956
6-hydrazinyl-2-methylsulfanyl-N-[2-(1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine
CID 80910991

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)-N'-methylethane-1,2-diamine?
The IUPAC name of N'-ethyl-N-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)-N'-methylethane-1,2-diamine (CID 80919066) is N'-ethyl-N-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)-N'-methylethane-1,2-diamine is CCN(C)CCNc1cc(NN)nc(SC)n1.
What is the InChIKey of N'-ethyl-N-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)-N'-methylethane-1,2-diamine?
The InChIKey is LOUHOTFRECJNFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N6S/c1-4-16(2)6-5-12-8-7-9(15-11)14-10(13-8)17-3/h7H,4-6,11H2,1-3H3,(H2,12,13,14,15).
What are the key properties of N'-ethyl-N-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)-N'-methylethane-1,2-diamine?
N'-ethyl-N-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)-N'-methylethane-1,2-diamine has a molecular weight of 256.38 g/mol, XLogP of 0.85, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 80919066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).