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

C13H22N4OS — CID 106498011

IUPAC[5-methyl-6-(oxolan-2-ylmethylsulfanyl)-2-propylpyrimidin-4-yl]hydrazine
SMILESCCCc1nc(NN)c(C)c(SCC2CCCO2)n1
InChIInChI=1S/C13H22N4OS/c1-3-5-11-15-12(17-14)9(2)13(16-11)19-8-10-6-4-7-18-10/h10H,3-8,14H2,1-2H3,(H,15,16,17)
InChIKeyJDPNRPUYGKOHRG-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.29
Rot. Bonds6

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

[5-methyl-6-(oxolan-2-ylmethylsulfanyl)-2-propylpyrimidin-4-yl]hydrazine (PubChem CID 106498011) has the molecular formula C13H22N4OS and a molecular weight of 282.41 g/mol. Its IUPAC name is [5-methyl-6-(oxolan-2-ylmethylsulfanyl)-2-propylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[5-methyl-6-(oxolan-2-ylmethylsulfanyl)-2-propylpyrimidin-4-yl]hydrazine
PubChem CID106498011
Molecular FormulaC13H22N4OS
Molecular Weight282.41 g/mol
Exact Mass282.15
IUPAC Name[5-methyl-6-(oxolan-2-ylmethylsulfanyl)-2-propylpyrimidin-4-yl]hydrazine
SMILESCCCc1nc(NN)c(C)c(SCC2CCCO2)n1
InChIInChI=1S/C13H22N4OS/c1-3-5-11-15-12(17-14)9(2)13(16-11)19-8-10-6-4-7-18-10/h10H,3-8,14H2,1-2H3,(H,15,16,17)
InChIKeyJDPNRPUYGKOHRG-UHFFFAOYSA-N
XLogP2.29
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.29
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

2-ethyl-N,5-dimethyl-6-(oxolan-2-ylmethylsulfanyl)pyrimidin-4-amine
CID 106497894
(6-cyclohexylsulfanyl-5-methyl-2-propylpyrimidin-4-yl)hydrazine
CID 81001237
[5-methyl-6-(2-methylbutylsulfanyl)-2-propylpyrimidin-4-yl]hydrazine
CID 107766364
6-hydrazinyl-5-methyl-N-[1-(oxolan-2-yl)ethyl]-2-propylpyrimidin-4-amine
CID 80995507
2-cyclopropyl-5-methyl-6-(oxolan-2-ylmethylsulfanyl)-N-propylpyrimidin-4-amine
CID 106497829
N,5-dimethyl-6-(oxolan-2-ylmethylsulfanyl)-2-propan-2-ylpyrimidin-4-amine
CID 106497697
6-hydrazinyl-5-methyl-N-(2-methylcyclohexyl)-2-propylpyrimidin-4-amine
CID 81001589
[5-ethyl-6-methyl-2-(oxolan-2-ylmethyl)pyrimidin-4-yl]hydrazine
CID 62251234
[6-(cyclopentylmethylsulfanyl)-2,5-dimethylpyrimidin-4-yl]hydrazine
CID 80930091
[4-methyl-5-nitro-6-(oxolan-2-ylmethylsulfanyl)pyrimidin-2-yl]hydrazine
CID 114045275
N-(4,4-dimethylcyclohexyl)-6-hydrazinyl-5-methyl-2-propylpyrimidin-4-amine
CID 81006435
N,N-diethyl-4-hydrazinyl-6-(oxolan-2-ylmethylsulfanyl)-1,3,5-triazin-2-amine
CID 106497966

Frequently Asked Questions

What is the IUPAC name of [5-methyl-6-(oxolan-2-ylmethylsulfanyl)-2-propylpyrimidin-4-yl]hydrazine?
The IUPAC name of [5-methyl-6-(oxolan-2-ylmethylsulfanyl)-2-propylpyrimidin-4-yl]hydrazine (CID 106498011) is [5-methyl-6-(oxolan-2-ylmethylsulfanyl)-2-propylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [5-methyl-6-(oxolan-2-ylmethylsulfanyl)-2-propylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [5-methyl-6-(oxolan-2-ylmethylsulfanyl)-2-propylpyrimidin-4-yl]hydrazine is CCCc1nc(NN)c(C)c(SCC2CCCO2)n1.
What is the InChIKey of [5-methyl-6-(oxolan-2-ylmethylsulfanyl)-2-propylpyrimidin-4-yl]hydrazine?
The InChIKey is JDPNRPUYGKOHRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4OS/c1-3-5-11-15-12(17-14)9(2)13(16-11)19-8-10-6-4-7-18-10/h10H,3-8,14H2,1-2H3,(H,15,16,17).
What are the key properties of [5-methyl-6-(oxolan-2-ylmethylsulfanyl)-2-propylpyrimidin-4-yl]hydrazine?
[5-methyl-6-(oxolan-2-ylmethylsulfanyl)-2-propylpyrimidin-4-yl]hydrazine has a molecular weight of 282.41 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-6-(oxolan-2-ylmethylsulfanyl)-2-propylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 106498011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).