4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]butan-1-ol

C11H15N3OS — CID 106842572

IUPAC4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]butan-1-ol
SMILESCc1csc2c(NCCCCO)ncnc12
InChIInChI=1S/C11H15N3OS/c1-8-6-16-10-9(8)13-7-14-11(10)12-4-2-3-5-15/h6-7,15H,2-5H2,1H3,(H,12,13,14)
InChIKeyDGVMCGPYTJFONK-UHFFFAOYSA-N
MW237.33 g/mol
LogP2.18
Rot. Bonds5

About 4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]butan-1-ol

4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]butan-1-ol (PubChem CID 106842572) has the molecular formula C11H15N3OS and a molecular weight of 237.33 g/mol. Its IUPAC name is 4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]butan-1-ol.

Molecular Properties

Compound Name4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]butan-1-ol
PubChem CID106842572
Molecular FormulaC11H15N3OS
Molecular Weight237.33 g/mol
Exact Mass237.09
IUPAC Name4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]butan-1-ol
SMILESCc1csc2c(NCCCCO)ncnc12
InChIInChI=1S/C11H15N3OS/c1-8-6-16-10-9(8)13-7-14-11(10)12-4-2-3-5-15/h6-7,15H,2-5H2,1H3,(H,12,13,14)
InChIKeyDGVMCGPYTJFONK-UHFFFAOYSA-N
XLogP2.18
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]butan-1-ol?
The IUPAC name of 4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]butan-1-ol (CID 106842572) is 4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]butan-1-ol.
What is the SMILES notation for 4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]butan-1-ol?
The canonical SMILES for 4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]butan-1-ol is Cc1csc2c(NCCCCO)ncnc12.
What is the InChIKey of 4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]butan-1-ol?
The InChIKey is DGVMCGPYTJFONK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3OS/c1-8-6-16-10-9(8)13-7-14-11(10)12-4-2-3-5-15/h6-7,15H,2-5H2,1H3,(H,12,13,14).
What are the key properties of 4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]butan-1-ol?
4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]butan-1-ol has a molecular weight of 237.33 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]butan-1-ol is sourced from PubChem (CID 106842572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).