N-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]-N-methyloxolan-3-amine

C12H17N5OS — CID 82744158

IUPACN-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]-N-methyloxolan-3-amine
SMILESCN(Cc1nc(NN)c2ccsc2n1)C1CCOC1
InChIInChI=1S/C12H17N5OS/c1-17(8-2-4-18-7-8)6-10-14-11(16-13)9-3-5-19-12(9)15-10/h3,5,8H,2,4,6-7,13H2,1H3,(H,14,15,16)
InChIKeyGYHOSDPFDWGLSR-UHFFFAOYSA-N
MW279.37 g/mol
LogP1.20
Rot. Bonds4

About N-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]-N-methyloxolan-3-amine

N-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]-N-methyloxolan-3-amine (PubChem CID 82744158) has the molecular formula C12H17N5OS and a molecular weight of 279.37 g/mol. Its IUPAC name is N-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]-N-methyloxolan-3-amine.

Molecular Properties

Compound NameN-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]-N-methyloxolan-3-amine
PubChem CID82744158
Molecular FormulaC12H17N5OS
Molecular Weight279.37 g/mol
Exact Mass279.12
IUPAC NameN-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]-N-methyloxolan-3-amine
SMILESCN(Cc1nc(NN)c2ccsc2n1)C1CCOC1
InChIInChI=1S/C12H17N5OS/c1-17(8-2-4-18-7-8)6-10-14-11(16-13)9-3-5-19-12(9)15-10/h3,5,8H,2,4,6-7,13H2,1H3,(H,14,15,16)
InChIKeyGYHOSDPFDWGLSR-UHFFFAOYSA-N
XLogP1.20
TPSA76.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 51.20
H-Bond Donors ≤ 52
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

N-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]-N-methylcycloheptanamine
CID 62244736
[2-(oxolan-3-ylmethoxymethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 62246364
N-[(6-hydrazinyl-3-pyridinyl)methyl]-N-methyloxolan-3-amine
CID 82743836
N-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]-N,3-dimethylaniline
CID 62246450
2-(oxolan-3-ylmethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 103987757
N-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]-N-methylcyclopentanamine
CID 62189688
[2-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 62502703
4-N-methyl-4-N-(oxan-4-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103325226
[2-[(3,5-dimethylpiperidin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 62244605
2-[[1-cyclopropylethyl(methyl)amino]methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 62182231
2-[[(4-ethylcyclohexyl)-methylamino]methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62208278
N,6-dimethyl-2-[[methyl(oxolan-3-yl)amino]methyl]pyrimidin-4-amine
CID 82743511

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]-N-methyloxolan-3-amine?
The IUPAC name of N-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]-N-methyloxolan-3-amine (CID 82744158) is N-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]-N-methyloxolan-3-amine.
What is the SMILES notation for N-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]-N-methyloxolan-3-amine?
The canonical SMILES for N-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]-N-methyloxolan-3-amine is CN(Cc1nc(NN)c2ccsc2n1)C1CCOC1.
What is the InChIKey of N-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]-N-methyloxolan-3-amine?
The InChIKey is GYHOSDPFDWGLSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5OS/c1-17(8-2-4-18-7-8)6-10-14-11(16-13)9-3-5-19-12(9)15-10/h3,5,8H,2,4,6-7,13H2,1H3,(H,14,15,16).
What are the key properties of N-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]-N-methyloxolan-3-amine?
N-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]-N-methyloxolan-3-amine has a molecular weight of 279.37 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]-N-methyloxolan-3-amine is sourced from PubChem (CID 82744158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).