5-[[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]pentan-1-ol

C13H20N4OS — CID 107324255

IUPAC5-[[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]pentan-1-ol
SMILESCNc1nc(NCCCCCO)c2cc(C)sc2n1
InChIInChI=1S/C13H20N4OS/c1-9-8-10-11(15-6-4-3-5-7-18)16-13(14-2)17-12(10)19-9/h8,18H,3-7H2,1-2H3,(H2,14,15,16,17)
InChIKeyCPTXAVLEIOQBLV-UHFFFAOYSA-N
MW280.40 g/mol
LogP2.62
Rot. Bonds7

About 5-[[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]pentan-1-ol

5-[[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]pentan-1-ol (PubChem CID 107324255) has the molecular formula C13H20N4OS and a molecular weight of 280.40 g/mol. Its IUPAC name is 5-[[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]pentan-1-ol.

Molecular Properties

Compound Name5-[[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]pentan-1-ol
PubChem CID107324255
Molecular FormulaC13H20N4OS
Molecular Weight280.40 g/mol
Exact Mass280.14
IUPAC Name5-[[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]pentan-1-ol
SMILESCNc1nc(NCCCCCO)c2cc(C)sc2n1
InChIInChI=1S/C13H20N4OS/c1-9-8-10-11(15-6-4-3-5-7-18)16-13(14-2)17-12(10)19-9/h8,18H,3-7H2,1-2H3,(H2,14,15,16,17)
InChIKeyCPTXAVLEIOQBLV-UHFFFAOYSA-N
XLogP2.62
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.40
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-[[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]pentan-1-ol with MolForge

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Related Compounds

5-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-1-ol
CID 82066304
4-N-[3-(diethylamino)propyl]-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324349
2-N,6-dimethyl-4-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324046
3-[[6-methyl-2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]propan-1-ol
CID 103324486
2-[[2-(ethylamino)-6-methylthieno[2,3-d]pyrimidin-4-yl]amino]ethanol
CID 103324005
6-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]hexan-1-ol
CID 133434436
N-hexyl-2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 103333854
2-methyl-3-[[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]propane-1,2-diol
CID 103328768
4-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butan-1-ol
CID 106846941
2-hydrazinyl-6-methyl-N-pentylthieno[2,3-d]pyrimidin-4-amine
CID 103335234
2-[3-[[2-(ethylamino)-6-methylthieno[2,3-d]pyrimidin-4-yl]amino]propoxy]ethanol
CID 106311471
[2-[[[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]cyclopentyl]methanol
CID 103328663

Frequently Asked Questions

What is the IUPAC name of 5-[[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]pentan-1-ol?
The IUPAC name of 5-[[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]pentan-1-ol (CID 107324255) is 5-[[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]pentan-1-ol.
What is the SMILES notation for 5-[[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]pentan-1-ol?
The canonical SMILES for 5-[[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]pentan-1-ol is CNc1nc(NCCCCCO)c2cc(C)sc2n1.
What is the InChIKey of 5-[[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]pentan-1-ol?
The InChIKey is CPTXAVLEIOQBLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4OS/c1-9-8-10-11(15-6-4-3-5-7-18)16-13(14-2)17-12(10)19-9/h8,18H,3-7H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 5-[[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]pentan-1-ol?
5-[[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]pentan-1-ol has a molecular weight of 280.40 g/mol, XLogP of 2.62, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]pentan-1-ol is sourced from PubChem (CID 107324255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).