[4-methyl-5-nitro-6-(oxolan-2-ylmethylsulfanyl)pyrimidin-2-yl]hydrazine

C10H15N5O3S — CID 114045275

IUPAC[4-methyl-5-nitro-6-(oxolan-2-ylmethylsulfanyl)pyrimidin-2-yl]hydrazine
SMILESCc1nc(NN)nc(SCC2CCCO2)c1[N+](=O)[O-]
InChIInChI=1S/C10H15N5O3S/c1-6-8(15(16)17)9(13-10(12-6)14-11)19-5-7-3-2-4-18-7/h7H,2-5,11H2,1H3,(H,12,13,14)
InChIKeyZEFAVWODCWZVOX-UHFFFAOYSA-N
MW285.33 g/mol
LogP1.25
Rot. Bonds5

About [4-methyl-5-nitro-6-(oxolan-2-ylmethylsulfanyl)pyrimidin-2-yl]hydrazine

[4-methyl-5-nitro-6-(oxolan-2-ylmethylsulfanyl)pyrimidin-2-yl]hydrazine (PubChem CID 114045275) has the molecular formula C10H15N5O3S and a molecular weight of 285.33 g/mol. Its IUPAC name is [4-methyl-5-nitro-6-(oxolan-2-ylmethylsulfanyl)pyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-methyl-5-nitro-6-(oxolan-2-ylmethylsulfanyl)pyrimidin-2-yl]hydrazine
PubChem CID114045275
Molecular FormulaC10H15N5O3S
Molecular Weight285.33 g/mol
Exact Mass285.09
IUPAC Name[4-methyl-5-nitro-6-(oxolan-2-ylmethylsulfanyl)pyrimidin-2-yl]hydrazine
SMILESCc1nc(NN)nc(SCC2CCCO2)c1[N+](=O)[O-]
InChIInChI=1S/C10H15N5O3S/c1-6-8(15(16)17)9(13-10(12-6)14-11)19-5-7-3-2-4-18-7/h7H,2-5,11H2,1H3,(H,12,13,14)
InChIKeyZEFAVWODCWZVOX-UHFFFAOYSA-N
XLogP1.25
TPSA116.20 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-hydrazinyl-N,N-dimethyl-6-(oxolan-2-ylmethylsulfanyl)-1,3,5-triazin-2-amine
CID 106498020
4-N-cyclohexyl-6-methyl-5-nitro-2-N-[[(2S)-oxolan-2-yl]methyl]pyrimidine-2,4-diamine
CID 51894223
[4-methyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-5-nitropyrimidin-2-yl]hydrazine
CID 114045260
[5-methyl-6-(oxolan-2-ylmethylsulfanyl)-2-propylpyrimidin-4-yl]hydrazine
CID 106498011
2-chloro-6-methyl-5-nitro-N-[[(2S)-oxolan-2-yl]methyl]pyrimidin-4-amine
CID 7147270
N,N-diethyl-4-hydrazinyl-6-(oxolan-2-ylmethylsulfanyl)-1,3,5-triazin-2-amine
CID 106497966
2-chloro-6-methyl-5-nitro-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-4-amine
CID 7147271
[4-(oxolan-2-ylmethylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 106498029
1,3-dimethyl-4-nitro-N-(oxolan-2-ylmethyl)pyrazol-5-amine
CID 43554263
2-[(3-chloro-2-nitrophenyl)sulfanylmethyl]oxolane
CID 106494838
4,5-dimethyl-2-[(4-nitrophenyl)methylsulfanyl]-1-(oxolan-2-ylmethyl)imidazole
CID 47007559
N-ethyl-5-fluoro-4-(oxolan-2-ylmethylsulfanyl)pyrimidin-2-amine
CID 106497884

Frequently Asked Questions

What is the IUPAC name of [4-methyl-5-nitro-6-(oxolan-2-ylmethylsulfanyl)pyrimidin-2-yl]hydrazine?
The IUPAC name of [4-methyl-5-nitro-6-(oxolan-2-ylmethylsulfanyl)pyrimidin-2-yl]hydrazine (CID 114045275) is [4-methyl-5-nitro-6-(oxolan-2-ylmethylsulfanyl)pyrimidin-2-yl]hydrazine.
What is the SMILES notation for [4-methyl-5-nitro-6-(oxolan-2-ylmethylsulfanyl)pyrimidin-2-yl]hydrazine?
The canonical SMILES for [4-methyl-5-nitro-6-(oxolan-2-ylmethylsulfanyl)pyrimidin-2-yl]hydrazine is Cc1nc(NN)nc(SCC2CCCO2)c1[N+](=O)[O-].
What is the InChIKey of [4-methyl-5-nitro-6-(oxolan-2-ylmethylsulfanyl)pyrimidin-2-yl]hydrazine?
The InChIKey is ZEFAVWODCWZVOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O3S/c1-6-8(15(16)17)9(13-10(12-6)14-11)19-5-7-3-2-4-18-7/h7H,2-5,11H2,1H3,(H,12,13,14).
What are the key properties of [4-methyl-5-nitro-6-(oxolan-2-ylmethylsulfanyl)pyrimidin-2-yl]hydrazine?
[4-methyl-5-nitro-6-(oxolan-2-ylmethylsulfanyl)pyrimidin-2-yl]hydrazine has a molecular weight of 285.33 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-5-nitro-6-(oxolan-2-ylmethylsulfanyl)pyrimidin-2-yl]hydrazine is sourced from PubChem (CID 114045275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).