[1-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)pyrrolidin-3-yl]methanol

C10H17N5OS — CID 112629757

IUPAC[1-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)pyrrolidin-3-yl]methanol
SMILESCSc1nc(NN)cc(N2CCC(CO)C2)n1
InChIInChI=1S/C10H17N5OS/c1-17-10-12-8(14-11)4-9(13-10)15-3-2-7(5-15)6-16/h4,7,16H,2-3,5-6,11H2,1H3,(H,12,13,14)
InChIKeyTZQDAASUHYQXDR-UHFFFAOYSA-N
MW255.35 g/mol
LogP0.30
Rot. Bonds4

About [1-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)pyrrolidin-3-yl]methanol

[1-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)pyrrolidin-3-yl]methanol (PubChem CID 112629757) has the molecular formula C10H17N5OS and a molecular weight of 255.35 g/mol. Its IUPAC name is [1-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)pyrrolidin-3-yl]methanol
PubChem CID112629757
Molecular FormulaC10H17N5OS
Molecular Weight255.35 g/mol
Exact Mass255.12
IUPAC Name[1-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)pyrrolidin-3-yl]methanol
SMILESCSc1nc(NN)cc(N2CCC(CO)C2)n1
InChIInChI=1S/C10H17N5OS/c1-17-10-12-8(14-11)4-9(13-10)15-3-2-7(5-15)6-16/h4,7,16H,2-3,5-6,11H2,1H3,(H,12,13,14)
InChIKeyTZQDAASUHYQXDR-UHFFFAOYSA-N
XLogP0.30
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.35
LogP ≤ 50.30
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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Frequently Asked Questions

What is the IUPAC name of [1-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)pyrrolidin-3-yl]methanol?
The IUPAC name of [1-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)pyrrolidin-3-yl]methanol (CID 112629757) is [1-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)pyrrolidin-3-yl]methanol is CSc1nc(NN)cc(N2CCC(CO)C2)n1.
What is the InChIKey of [1-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)pyrrolidin-3-yl]methanol?
The InChIKey is TZQDAASUHYQXDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5OS/c1-17-10-12-8(14-11)4-9(13-10)15-3-2-7(5-15)6-16/h4,7,16H,2-3,5-6,11H2,1H3,(H,12,13,14).
What are the key properties of [1-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)pyrrolidin-3-yl]methanol?
[1-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)pyrrolidin-3-yl]methanol has a molecular weight of 255.35 g/mol, XLogP of 0.30, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 112629757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).