[5,6-dimethyl-2-(propan-2-yloxymethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine

C12H18N4OS — CID 62246778

IUPAC[5,6-dimethyl-2-(propan-2-yloxymethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
SMILESCc1sc2nc(COC(C)C)nc(NN)c2c1C
InChIInChI=1S/C12H18N4OS/c1-6(2)17-5-9-14-11(16-13)10-7(3)8(4)18-12(10)15-9/h6H,5,13H2,1-4H3,(H,14,15,16)
InChIKeyNPBRXUNUTLNYDU-UHFFFAOYSA-N
MW266.37 g/mol
LogP2.52
Rot. Bonds4

About [5,6-dimethyl-2-(propan-2-yloxymethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine

[5,6-dimethyl-2-(propan-2-yloxymethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine (PubChem CID 62246778) has the molecular formula C12H18N4OS and a molecular weight of 266.37 g/mol. Its IUPAC name is [5,6-dimethyl-2-(propan-2-yloxymethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[5,6-dimethyl-2-(propan-2-yloxymethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
PubChem CID62246778
Molecular FormulaC12H18N4OS
Molecular Weight266.37 g/mol
Exact Mass266.12
IUPAC Name[5,6-dimethyl-2-(propan-2-yloxymethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
SMILESCc1sc2nc(COC(C)C)nc(NN)c2c1C
InChIInChI=1S/C12H18N4OS/c1-6(2)17-5-9-14-11(16-13)10-7(3)8(4)18-12(10)15-9/h6H,5,13H2,1-4H3,(H,14,15,16)
InChIKeyNPBRXUNUTLNYDU-UHFFFAOYSA-N
XLogP2.52
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-(1-ethoxyethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 64533422
1-[(4-hydrazinyl-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl-methylamino]propan-2-ol
CID 62336235
[5,6-dimethyl-2-(oxolan-3-yloxymethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 63558704
2-(ethoxymethyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine
CID 62193496
[5,6-dimethyl-2-(2-methylsulfonylethylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 63659781
2-(2-methoxyethoxymethyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine
CID 62193550
[5,6-dimethyl-2-[(2-methylpiperidin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 62244800
5,6-dimethyl-2-(2-methylpropyl)-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 63485014
2-[[ethyl(propan-2-yl)amino]methyl]-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine
CID 62183070
2-[(2-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-3-methylpentanoic acid
CID 91965606
2-benzyl-5,6-dimethyl-N-propan-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 91964645
N-ethyl-5,6-dimethyl-2-[[methyl(propan-2-yl)amino]methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62183200

Frequently Asked Questions

What is the IUPAC name of [5,6-dimethyl-2-(propan-2-yloxymethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine?
The IUPAC name of [5,6-dimethyl-2-(propan-2-yloxymethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine (CID 62246778) is [5,6-dimethyl-2-(propan-2-yloxymethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [5,6-dimethyl-2-(propan-2-yloxymethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine?
The canonical SMILES for [5,6-dimethyl-2-(propan-2-yloxymethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine is Cc1sc2nc(COC(C)C)nc(NN)c2c1C.
What is the InChIKey of [5,6-dimethyl-2-(propan-2-yloxymethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine?
The InChIKey is NPBRXUNUTLNYDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4OS/c1-6(2)17-5-9-14-11(16-13)10-7(3)8(4)18-12(10)15-9/h6H,5,13H2,1-4H3,(H,14,15,16).
What are the key properties of [5,6-dimethyl-2-(propan-2-yloxymethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine?
[5,6-dimethyl-2-(propan-2-yloxymethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine has a molecular weight of 266.37 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5,6-dimethyl-2-(propan-2-yloxymethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 62246778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).