3-[[(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol

C11H19N5OS — CID 106138701

IUPAC3-[[(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
SMILESCSc1nc(NN)cc(NCC2CCC(O)C2)n1
InChIInChI=1S/C11H19N5OS/c1-18-11-14-9(5-10(15-11)16-12)13-6-7-2-3-8(17)4-7/h5,7-8,17H,2-4,6,12H2,1H3,(H2,13,14,15,16)
InChIKeyVPEZPPOEFOYZQK-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.06
Rot. Bonds5

About 3-[[(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol

3-[[(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol (PubChem CID 106138701) has the molecular formula C11H19N5OS and a molecular weight of 269.37 g/mol. Its IUPAC name is 3-[[(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name3-[[(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
PubChem CID106138701
Molecular FormulaC11H19N5OS
Molecular Weight269.37 g/mol
Exact Mass269.13
IUPAC Name3-[[(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
SMILESCSc1nc(NN)cc(NCC2CCC(O)C2)n1
InChIInChI=1S/C11H19N5OS/c1-18-11-14-9(5-10(15-11)16-12)13-6-7-2-3-8(17)4-7/h5,7-8,17H,2-4,6,12H2,1H3,(H2,13,14,15,16)
InChIKeyVPEZPPOEFOYZQK-UHFFFAOYSA-N
XLogP1.06
TPSA96.09 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 3-[[(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol with MolForge

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Related Compounds

6-hydrazinyl-N-[(3-methylcyclopentyl)methyl]-2-methylsulfanylpyrimidin-4-amine
CID 107416021
3-[[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
CID 106138702
3-[[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 114148540
4-[[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 106138816
6-hydrazinyl-2-methylsulfanyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidin-4-amine
CID 80922985
6-hydrazinyl-4-N-[(3-methylcyclopentyl)methyl]pyrimidine-2,4-diamine
CID 107416016
4-N-(cyclobutylmethyl)-2-methylsulfanylpyrimidine-4,6-diamine
CID 80782716
3-[[[6-(methylamino)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol
CID 106137975
3-[[[6-(ethylamino)-2-(methoxymethyl)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol
CID 106137938
1-[(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)amino]propan-2-ol
CID 80907263
4-[[(6-hydrazinylpyrazin-2-yl)amino]methyl]cyclohexan-1-ol
CID 106138813
3-[[(6-aminopyridazin-3-yl)amino]methyl]cyclopentan-1-ol
CID 106137884

Frequently Asked Questions

What is the IUPAC name of 3-[[(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol?
The IUPAC name of 3-[[(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol (CID 106138701) is 3-[[(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 3-[[(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol?
The canonical SMILES for 3-[[(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol is CSc1nc(NN)cc(NCC2CCC(O)C2)n1.
What is the InChIKey of 3-[[(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol?
The InChIKey is VPEZPPOEFOYZQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5OS/c1-18-11-14-9(5-10(15-11)16-12)13-6-7-2-3-8(17)4-7/h5,7-8,17H,2-4,6,12H2,1H3,(H2,13,14,15,16).
What are the key properties of 3-[[(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol?
3-[[(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol has a molecular weight of 269.37 g/mol, XLogP of 1.06, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 106138701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).