[6-(cyclopentylmethylsulfanyl)-5-propylpyrimidin-4-yl]hydrazine

C13H22N4S — CID 80928958

IUPAC[6-(cyclopentylmethylsulfanyl)-5-propylpyrimidin-4-yl]hydrazine
SMILESCCCc1c(NN)ncnc1SCC1CCCC1
InChIInChI=1S/C13H22N4S/c1-2-5-11-12(17-14)15-9-16-13(11)18-8-10-6-3-4-7-10/h9-10H,2-8,14H2,1H3,(H,15,16,17)
InChIKeySHRMHZNHCBWSHC-UHFFFAOYSA-N
MW266.41 g/mol
LogP3.00
Rot. Bonds6

About [6-(cyclopentylmethylsulfanyl)-5-propylpyrimidin-4-yl]hydrazine

[6-(cyclopentylmethylsulfanyl)-5-propylpyrimidin-4-yl]hydrazine (PubChem CID 80928958) has the molecular formula C13H22N4S and a molecular weight of 266.41 g/mol. Its IUPAC name is [6-(cyclopentylmethylsulfanyl)-5-propylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-(cyclopentylmethylsulfanyl)-5-propylpyrimidin-4-yl]hydrazine
PubChem CID80928958
Molecular FormulaC13H22N4S
Molecular Weight266.41 g/mol
Exact Mass266.16
IUPAC Name[6-(cyclopentylmethylsulfanyl)-5-propylpyrimidin-4-yl]hydrazine
SMILESCCCc1c(NN)ncnc1SCC1CCCC1
InChIInChI=1S/C13H22N4S/c1-2-5-11-12(17-14)15-9-16-13(11)18-8-10-6-3-4-7-10/h9-10H,2-8,14H2,1H3,(H,15,16,17)
InChIKeySHRMHZNHCBWSHC-UHFFFAOYSA-N
XLogP3.00
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

6-cyclopentylsulfanyl-N,5-dipropylpyrimidin-4-amine
CID 80889758
6-hydrazinyl-N-[(3-methylcyclohexyl)methyl]-5-propylpyrimidin-4-amine
CID 114130795
3-[[(6-hydrazinyl-5-propylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 106138769
[6-[(4-chlorophenyl)methylsulfanyl]-5-propylpyrimidin-4-yl]hydrazine
CID 114793144
6-hydrazinyl-N-(2-methylcyclohexyl)-5-propylpyrimidin-4-amine
CID 80944639
6-(cyclopentylmethylsulfanyl)-N-methyl-5-propan-2-ylpyrimidin-4-amine
CID 80889774
N-(1-cyclohexylethyl)-6-hydrazinyl-5-propylpyrimidin-4-amine
CID 80918571
2-[cyclopentyl-(6-hydrazinyl-5-propylpyrimidin-4-yl)amino]ethanol
CID 80904987
(5-ethyl-6-pentylsulfanylpyrimidin-4-yl)hydrazine
CID 107766209
2-(6-hydrazinyl-5-propylpyrimidin-4-yl)sulfanylpyrimidine-4,6-diamine
CID 80923227
6-hydrazinyl-5-propyl-N-(4-propylcyclohexyl)pyrimidin-4-amine
CID 80901761
[6-(cyclopentylmethylsulfanyl)-2,5-dimethylpyrimidin-4-yl]hydrazine
CID 80930091

Frequently Asked Questions

What is the IUPAC name of [6-(cyclopentylmethylsulfanyl)-5-propylpyrimidin-4-yl]hydrazine?
The IUPAC name of [6-(cyclopentylmethylsulfanyl)-5-propylpyrimidin-4-yl]hydrazine (CID 80928958) is [6-(cyclopentylmethylsulfanyl)-5-propylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-(cyclopentylmethylsulfanyl)-5-propylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-(cyclopentylmethylsulfanyl)-5-propylpyrimidin-4-yl]hydrazine is CCCc1c(NN)ncnc1SCC1CCCC1.
What is the InChIKey of [6-(cyclopentylmethylsulfanyl)-5-propylpyrimidin-4-yl]hydrazine?
The InChIKey is SHRMHZNHCBWSHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4S/c1-2-5-11-12(17-14)15-9-16-13(11)18-8-10-6-3-4-7-10/h9-10H,2-8,14H2,1H3,(H,15,16,17).
What are the key properties of [6-(cyclopentylmethylsulfanyl)-5-propylpyrimidin-4-yl]hydrazine?
[6-(cyclopentylmethylsulfanyl)-5-propylpyrimidin-4-yl]hydrazine has a molecular weight of 266.41 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(cyclopentylmethylsulfanyl)-5-propylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 80928958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).