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

C11H16N4OS — CID 106846941

IUPAC4-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butan-1-ol
SMILESCNc1nc(NCCCCO)c2ccsc2n1
InChIInChI=1S/C11H16N4OS/c1-12-11-14-9(13-5-2-3-6-16)8-4-7-17-10(8)15-11/h4,7,16H,2-3,5-6H2,1H3,(H2,12,13,14,15)
InChIKeyVUSFPPHZYCZYQT-UHFFFAOYSA-N
MW252.34 g/mol
LogP1.92
Rot. Bonds6

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

4-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butan-1-ol (PubChem CID 106846941) has the molecular formula C11H16N4OS and a molecular weight of 252.34 g/mol. Its IUPAC name is 4-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butan-1-ol.

Molecular Properties

Compound Name4-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butan-1-ol
PubChem CID106846941
Molecular FormulaC11H16N4OS
Molecular Weight252.34 g/mol
Exact Mass252.10
IUPAC Name4-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butan-1-ol
SMILESCNc1nc(NCCCCO)c2ccsc2n1
InChIInChI=1S/C11H16N4OS/c1-12-11-14-9(13-5-2-3-6-16)8-4-7-17-10(8)15-11/h4,7,16H,2-3,5-6H2,1H3,(H2,12,13,14,15)
InChIKeyVUSFPPHZYCZYQT-UHFFFAOYSA-N
XLogP1.92
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butan-1-ol with MolForge

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Related Compounds

6-[[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]hexan-1-ol
CID 107855237
5-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-1-ol
CID 107324351
5-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]pentan-2-ol
CID 106138174
3-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol
CID 103335379
3-methyl-4-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butan-1-ol
CID 103328737
5-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]pentan-1-ol
CID 107318295
4-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]pentan-1-ol
CID 103329081
2-N-ethyl-4-N-pentylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324261
4-N-pentyl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324258
5-[[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]pentan-1-ol
CID 107324255
2-N-methyl-4-N-(2-methylbutan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103323418
4-N-butyl-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324250

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butan-1-ol?
The IUPAC name of 4-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butan-1-ol (CID 106846941) is 4-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butan-1-ol.
What is the SMILES notation for 4-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butan-1-ol?
The canonical SMILES for 4-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butan-1-ol is CNc1nc(NCCCCO)c2ccsc2n1.
What is the InChIKey of 4-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butan-1-ol?
The InChIKey is VUSFPPHZYCZYQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4OS/c1-12-11-14-9(13-5-2-3-6-16)8-4-7-17-10(8)15-11/h4,7,16H,2-3,5-6H2,1H3,(H2,12,13,14,15).
What are the key properties of 4-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butan-1-ol?
4-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butan-1-ol has a molecular weight of 252.34 g/mol, XLogP of 1.92, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butan-1-ol is sourced from PubChem (CID 106846941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).