3-[[(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]pentan-1-ol

C13H21N5OS — CID 103334672

IUPAC3-[[(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]pentan-1-ol
SMILESCCC(CCO)CNc1nc(NN)nc2sc(C)cc12
InChIInChI=1S/C13H21N5OS/c1-3-9(4-5-19)7-15-11-10-6-8(2)20-12(10)17-13(16-11)18-14/h6,9,19H,3-5,7,14H2,1-2H3,(H2,15,16,17,18)
InChIKeyKOIARBYAAFLLKO-UHFFFAOYSA-N
MW295.41 g/mol
LogP2.11
Rot. Bonds7

About 3-[[(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]pentan-1-ol

3-[[(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]pentan-1-ol (PubChem CID 103334672) has the molecular formula C13H21N5OS and a molecular weight of 295.41 g/mol. Its IUPAC name is 3-[[(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]pentan-1-ol.

Molecular Properties

Compound Name3-[[(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]pentan-1-ol
PubChem CID103334672
Molecular FormulaC13H21N5OS
Molecular Weight295.41 g/mol
Exact Mass295.15
IUPAC Name3-[[(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]pentan-1-ol
SMILESCCC(CCO)CNc1nc(NN)nc2sc(C)cc12
InChIInChI=1S/C13H21N5OS/c1-3-9(4-5-19)7-15-11-10-6-8(2)20-12(10)17-13(16-11)18-14/h6,9,19H,3-5,7,14H2,1-2H3,(H2,15,16,17,18)
InChIKeyKOIARBYAAFLLKO-UHFFFAOYSA-N
XLogP2.11
TPSA96.09 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 52.11
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'}

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Related Compounds

1-[(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]propan-2-ol
CID 103332256
2-hydrazinyl-6-methyl-N-(2,3,3-trimethylbutyl)thieno[2,3-d]pyrimidin-4-amine
CID 103335556
3-[[[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]pentan-1-ol
CID 103329093
2-[1-[[(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopropyl]ethanol
CID 103335861
3-[(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-2-methylpropane-1,2-diol
CID 103334447
2-hydrazinyl-6-methyl-N-pentylthieno[2,3-d]pyrimidin-4-amine
CID 103335234
N-hexyl-2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 103333854
2-[[2-(ethylamino)-6-methylthieno[2,3-d]pyrimidin-4-yl]amino]ethanol
CID 103324005
2-hydroxy-3-[[6-methyl-2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]propanamide
CID 106178963
2-[(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethanesulfonamide
CID 103332316
2-hydrazinyl-6-methyl-N-(3-propoxypropyl)thieno[2,3-d]pyrimidin-4-amine
CID 103335525
2-hydrazinyl-6-methyl-N-(2,4,4-trimethylpentan-2-yl)thieno[2,3-d]pyrimidin-4-amine
CID 103333150

Frequently Asked Questions

What is the IUPAC name of 3-[[(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]pentan-1-ol?
The IUPAC name of 3-[[(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]pentan-1-ol (CID 103334672) is 3-[[(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]pentan-1-ol.
What is the SMILES notation for 3-[[(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]pentan-1-ol?
The canonical SMILES for 3-[[(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]pentan-1-ol is CCC(CCO)CNc1nc(NN)nc2sc(C)cc12.
What is the InChIKey of 3-[[(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]pentan-1-ol?
The InChIKey is KOIARBYAAFLLKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5OS/c1-3-9(4-5-19)7-15-11-10-6-8(2)20-12(10)17-13(16-11)18-14/h6,9,19H,3-5,7,14H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 3-[[(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]pentan-1-ol?
3-[[(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]pentan-1-ol has a molecular weight of 295.41 g/mol, XLogP of 2.11, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]pentan-1-ol is sourced from PubChem (CID 103334672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).