3-[(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-2-methylpropane-1,2-diol

C11H17N5O2S — CID 103334447

IUPAC3-[(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-2-methylpropane-1,2-diol
SMILESCc1cc2c(NCC(C)(O)CO)nc(NN)nc2s1
InChIInChI=1S/C11H17N5O2S/c1-6-3-7-8(13-4-11(2,18)5-17)14-10(16-12)15-9(7)19-6/h3,17-18H,4-5,12H2,1-2H3,(H2,13,14,15,16)
InChIKeyFXFJNDOJNMVFNQ-UHFFFAOYSA-N
MW283.36 g/mol
LogP0.44
Rot. Bonds5

About 3-[(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-2-methylpropane-1,2-diol

3-[(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-2-methylpropane-1,2-diol (PubChem CID 103334447) has the molecular formula C11H17N5O2S and a molecular weight of 283.36 g/mol. Its IUPAC name is 3-[(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-2-methylpropane-1,2-diol.

Molecular Properties

Compound Name3-[(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-2-methylpropane-1,2-diol
PubChem CID103334447
Molecular FormulaC11H17N5O2S
Molecular Weight283.36 g/mol
Exact Mass283.11
IUPAC Name3-[(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-2-methylpropane-1,2-diol
SMILESCc1cc2c(NCC(C)(O)CO)nc(NN)nc2s1
InChIInChI=1S/C11H17N5O2S/c1-6-3-7-8(13-4-11(2,18)5-17)14-10(16-12)15-9(7)19-6/h3,17-18H,4-5,12H2,1-2H3,(H2,13,14,15,16)
InChIKeyFXFJNDOJNMVFNQ-UHFFFAOYSA-N
XLogP0.44
TPSA116.32 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 50.44
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

2-methyl-3-[[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]propane-1,2-diol
CID 103328768
3-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]-2-methylpropane-1,2-diol
CID 103334449
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-[[(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]pentan-1-ol
CID 103334672
2-hydrazinyl-6-methyl-N-(2,4,4-trimethylpentan-2-yl)thieno[2,3-d]pyrimidin-4-amine
CID 103333150
2-hydrazinyl-6-methyl-N-pentylthieno[2,3-d]pyrimidin-4-amine
CID 103335234
2-[1-[[(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopropyl]ethanol
CID 103335861
N-hexyl-2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 103333854
2-[(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethanesulfonamide
CID 103332316
3-[(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol
CID 106179605
4-N-(2,2-dimethylpropyl)-2-N-ethyl-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103325438

Frequently Asked Questions

What is the IUPAC name of 3-[(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-2-methylpropane-1,2-diol?
The IUPAC name of 3-[(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-2-methylpropane-1,2-diol (CID 103334447) is 3-[(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-2-methylpropane-1,2-diol.
What is the SMILES notation for 3-[(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-2-methylpropane-1,2-diol?
The canonical SMILES for 3-[(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-2-methylpropane-1,2-diol is Cc1cc2c(NCC(C)(O)CO)nc(NN)nc2s1.
What is the InChIKey of 3-[(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-2-methylpropane-1,2-diol?
The InChIKey is FXFJNDOJNMVFNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2S/c1-6-3-7-8(13-4-11(2,18)5-17)14-10(16-12)15-9(7)19-6/h3,17-18H,4-5,12H2,1-2H3,(H2,13,14,15,16).
What are the key properties of 3-[(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-2-methylpropane-1,2-diol?
3-[(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-2-methylpropane-1,2-diol has a molecular weight of 283.36 g/mol, XLogP of 0.44, 5 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-2-methylpropane-1,2-diol is sourced from PubChem (CID 103334447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).