N,N-diethyl-2-(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)sulfanylethanamine

C13H25N5S — CID 80996460

IUPACN,N-diethyl-2-(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)sulfanylethanamine
SMILESCCc1nc(NN)c(C)c(SCCN(CC)CC)n1
InChIInChI=1S/C13H25N5S/c1-5-11-15-12(17-14)10(4)13(16-11)19-9-8-18(6-2)7-3/h5-9,14H2,1-4H3,(H,15,16,17)
InChIKeySPPWTEIFDMPMTR-UHFFFAOYSA-N
MW283.44 g/mol
LogP2.07
Rot. Bonds8

About N,N-diethyl-2-(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)sulfanylethanamine

N,N-diethyl-2-(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)sulfanylethanamine (PubChem CID 80996460) has the molecular formula C13H25N5S and a molecular weight of 283.44 g/mol. Its IUPAC name is N,N-diethyl-2-(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)sulfanylethanamine.

Molecular Properties

Compound NameN,N-diethyl-2-(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)sulfanylethanamine
PubChem CID80996460
Molecular FormulaC13H25N5S
Molecular Weight283.44 g/mol
Exact Mass283.18
IUPAC NameN,N-diethyl-2-(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)sulfanylethanamine
SMILESCCc1nc(NN)c(C)c(SCCN(CC)CC)n1
InChIInChI=1S/C13H25N5S/c1-5-11-15-12(17-14)10(4)13(16-11)19-9-8-18(6-2)7-3/h5-9,14H2,1-4H3,(H,15,16,17)
InChIKeySPPWTEIFDMPMTR-UHFFFAOYSA-N
XLogP2.07
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 52.07
H-Bond Donors ≤ 52
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

3-(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)sulfanylpropan-1-ol
CID 80997107
[2-ethyl-5-methyl-6-(2-methylbutylsulfanyl)pyrimidin-4-yl]hydrazine
CID 107766327
N,N-diethyl-2-(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)oxyethanamine
CID 81001085
[2-ethyl-5-methyl-6-(4-propan-2-ylphenyl)sulfanylpyrimidin-4-yl]hydrazine
CID 81000228
[5-methyl-6-(2-methylbutylsulfanyl)-2-propylpyrimidin-4-yl]hydrazine
CID 107766364
[2-ethyl-5-methyl-6-(2-methylphenyl)sulfanylpyrimidin-4-yl]hydrazine
CID 81001116
N',N'-diethyl-N-(6-hydrazinyl-5-methyl-2-propylpyrimidin-4-yl)ethane-1,2-diamine
CID 81000696
6-[2-(diethylamino)ethylsulfanyl]-N-ethyl-5-methylpyrimidin-4-amine
CID 80891443
2-tert-butyl-6-[2-(diethylamino)ethylsulfanyl]-5-methylpyrimidin-4-amine
CID 80995478
methyl 2-[1-[(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)sulfanylmethyl]cyclopropyl]acetate
CID 107778834
(6-ethylsulfanyl-2,5-dimethylpyrimidin-4-yl)hydrazine
CID 80925717
2-ethyl-6-(3-methoxypropylsulfanyl)-N,5-dimethylpyrimidin-4-amine
CID 80994572

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)sulfanylethanamine?
The IUPAC name of N,N-diethyl-2-(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)sulfanylethanamine (CID 80996460) is N,N-diethyl-2-(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)sulfanylethanamine.
What is the SMILES notation for N,N-diethyl-2-(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)sulfanylethanamine?
The canonical SMILES for N,N-diethyl-2-(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)sulfanylethanamine is CCc1nc(NN)c(C)c(SCCN(CC)CC)n1.
What is the InChIKey of N,N-diethyl-2-(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)sulfanylethanamine?
The InChIKey is SPPWTEIFDMPMTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5S/c1-5-11-15-12(17-14)10(4)13(16-11)19-9-8-18(6-2)7-3/h5-9,14H2,1-4H3,(H,15,16,17).
What are the key properties of N,N-diethyl-2-(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)sulfanylethanamine?
N,N-diethyl-2-(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)sulfanylethanamine has a molecular weight of 283.44 g/mol, XLogP of 2.07, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)sulfanylethanamine is sourced from PubChem (CID 80996460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).