3-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]-2-methylpropane-1,2-diol

C10H15N5O2S — CID 103334449

IUPAC3-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]-2-methylpropane-1,2-diol
SMILESCC(O)(CO)CNc1nc(NN)nc2sccc12
InChIInChI=1S/C10H15N5O2S/c1-10(17,5-16)4-12-7-6-2-3-18-8(6)14-9(13-7)15-11/h2-3,16-17H,4-5,11H2,1H3,(H2,12,13,14,15)
InChIKeyYICLRLMSFOCWSR-UHFFFAOYSA-N
MW269.33 g/mol
LogP0.13
Rot. Bonds5

About 3-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]-2-methylpropane-1,2-diol

3-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]-2-methylpropane-1,2-diol (PubChem CID 103334449) has the molecular formula C10H15N5O2S and a molecular weight of 269.33 g/mol. Its IUPAC name is 3-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]-2-methylpropane-1,2-diol.

Molecular Properties

Compound Name3-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]-2-methylpropane-1,2-diol
PubChem CID103334449
Molecular FormulaC10H15N5O2S
Molecular Weight269.33 g/mol
Exact Mass269.09
IUPAC Name3-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]-2-methylpropane-1,2-diol
SMILESCC(O)(CO)CNc1nc(NN)nc2sccc12
InChIInChI=1S/C10H15N5O2S/c1-10(17,5-16)4-12-7-6-2-3-18-8(6)14-9(13-7)15-11/h2-3,16-17H,4-5,11H2,1H3,(H2,12,13,14,15)
InChIKeyYICLRLMSFOCWSR-UHFFFAOYSA-N
XLogP0.13
TPSA116.32 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 50.13
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

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

N'-(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)-N,N,2,2-tetramethylpropane-1,3-diamine
CID 103335219
3-[(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-2-methylpropane-1,2-diol
CID 103334447
3-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol
CID 103335379
2-ethyl-2-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]butan-1-ol
CID 103333442
N-[1-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide
CID 103333795
5-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-1-ol
CID 107324351
N-tert-butyl-2-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide
CID 103335475
2,4-dimethyl-1-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]pentan-2-ol
CID 103328744
5-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-2-ol
CID 106138733
3-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]propanamide
CID 103332330
2-hydrazinyl-N-[(4-methylphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 103335344
[4-[(2-methylpropan-2-yl)oxy]thieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103336022

Frequently Asked Questions

What is the IUPAC name of 3-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]-2-methylpropane-1,2-diol?
The IUPAC name of 3-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]-2-methylpropane-1,2-diol (CID 103334449) is 3-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]-2-methylpropane-1,2-diol.
What is the SMILES notation for 3-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]-2-methylpropane-1,2-diol?
The canonical SMILES for 3-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]-2-methylpropane-1,2-diol is CC(O)(CO)CNc1nc(NN)nc2sccc12.
What is the InChIKey of 3-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]-2-methylpropane-1,2-diol?
The InChIKey is YICLRLMSFOCWSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O2S/c1-10(17,5-16)4-12-7-6-2-3-18-8(6)14-9(13-7)15-11/h2-3,16-17H,4-5,11H2,1H3,(H2,12,13,14,15).
What are the key properties of 3-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]-2-methylpropane-1,2-diol?
3-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]-2-methylpropane-1,2-diol has a molecular weight of 269.33 g/mol, XLogP of 0.13, 5 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]-2-methylpropane-1,2-diol is sourced from PubChem (CID 103334449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).