1-[(4-hydrazinyl-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl-methylamino]propan-2-ol

C13H21N5OS — CID 62336235

IUPAC1-[(4-hydrazinyl-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl-methylamino]propan-2-ol
SMILESCc1sc2nc(CN(C)CC(C)O)nc(NN)c2c1C
InChIInChI=1S/C13H21N5OS/c1-7(19)5-18(4)6-10-15-12(17-14)11-8(2)9(3)20-13(11)16-10/h7,19H,5-6,14H2,1-4H3,(H,15,16,17)
InChIKeyAOVYYIVSRJZGTA-UHFFFAOYSA-N
MW295.41 g/mol
LogP1.41
Rot. Bonds5

About 1-[(4-hydrazinyl-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl-methylamino]propan-2-ol

1-[(4-hydrazinyl-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl-methylamino]propan-2-ol (PubChem CID 62336235) has the molecular formula C13H21N5OS and a molecular weight of 295.41 g/mol. Its IUPAC name is 1-[(4-hydrazinyl-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl-methylamino]propan-2-ol.

Molecular Properties

Compound Name1-[(4-hydrazinyl-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl-methylamino]propan-2-ol
PubChem CID62336235
Molecular FormulaC13H21N5OS
Molecular Weight295.41 g/mol
Exact Mass295.15
IUPAC Name1-[(4-hydrazinyl-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl-methylamino]propan-2-ol
SMILESCc1sc2nc(CN(C)CC(C)O)nc(NN)c2c1C
InChIInChI=1S/C13H21N5OS/c1-7(19)5-18(4)6-10-15-12(17-14)11-8(2)9(3)20-13(11)16-10/h7,19H,5-6,14H2,1-4H3,(H,15,16,17)
InChIKeyAOVYYIVSRJZGTA-UHFFFAOYSA-N
XLogP1.41
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 51.41
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of 1-[(4-hydrazinyl-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl-methylamino]propan-2-ol?
The IUPAC name of 1-[(4-hydrazinyl-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl-methylamino]propan-2-ol (CID 62336235) is 1-[(4-hydrazinyl-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl-methylamino]propan-2-ol.
What is the SMILES notation for 1-[(4-hydrazinyl-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl-methylamino]propan-2-ol?
The canonical SMILES for 1-[(4-hydrazinyl-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl-methylamino]propan-2-ol is Cc1sc2nc(CN(C)CC(C)O)nc(NN)c2c1C.
What is the InChIKey of 1-[(4-hydrazinyl-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl-methylamino]propan-2-ol?
The InChIKey is AOVYYIVSRJZGTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5OS/c1-7(19)5-18(4)6-10-15-12(17-14)11-8(2)9(3)20-13(11)16-10/h7,19H,5-6,14H2,1-4H3,(H,15,16,17).
What are the key properties of 1-[(4-hydrazinyl-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl-methylamino]propan-2-ol?
1-[(4-hydrazinyl-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl-methylamino]propan-2-ol has a molecular weight of 295.41 g/mol, XLogP of 1.41, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-hydrazinyl-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl-methylamino]propan-2-ol is sourced from PubChem (CID 62336235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).