[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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Related Compounds

[1-[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]piperidin-3-yl]methanol
CID 80792404
[1-(2-ethyl-6-hydrazinylpyrimidin-4-yl)pyrrolidin-3-yl]methanol
CID 112629749
2-[1-[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]pyrrolidin-3-yl]ethanol
CID 114802808
[2-methylsulfanyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-yl]hydrazine
CID 80924868
[2-methylsulfanyl-6-(3-phenylpyrrolidin-1-yl)pyrimidin-4-yl]hydrazine
CID 80903003
[1-(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]methanol
CID 80964876
[(3R)-1-(6-chloro-2-methylsulfanylpyrimidin-4-yl)piperidin-3-yl]methanol
CID 86329188
(2-methylsulfanyl-6-thiomorpholin-4-ylpyrimidin-4-yl)hydrazine
CID 80932159
[1-[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-3-yl]methanol
CID 112629494
N-methyl-2-methylsulfanyl-6-(4-propylpiperidin-1-yl)pyrimidin-4-amine
CID 80822489
[6-(2-methylpyrrolidin-1-yl)-2-methylsulfanylpyrimidin-4-yl]hydrazine
CID 80898992
4-hydrazinyl-6-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-2-amine
CID 80918018

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).