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

C13H20N4OS — CID 103328395

IUPAC4-[[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butan-2-ol
SMILESCCCNc1nc(NCCC(C)O)c2ccsc2n1
InChIInChI=1S/C13H20N4OS/c1-3-6-15-13-16-11(14-7-4-9(2)18)10-5-8-19-12(10)17-13/h5,8-9,18H,3-4,6-7H2,1-2H3,(H2,14,15,16,17)
InChIKeyJXGAEKQXHWFFLS-UHFFFAOYSA-N
MW280.40 g/mol
LogP2.70
Rot. Bonds7

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

4-[[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butan-2-ol (PubChem CID 103328395) has the molecular formula C13H20N4OS and a molecular weight of 280.40 g/mol. Its IUPAC name is 4-[[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butan-2-ol.

Molecular Properties

Compound Name4-[[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butan-2-ol
PubChem CID103328395
Molecular FormulaC13H20N4OS
Molecular Weight280.40 g/mol
Exact Mass280.14
IUPAC Name4-[[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butan-2-ol
SMILESCCCNc1nc(NCCC(C)O)c2ccsc2n1
InChIInChI=1S/C13H20N4OS/c1-3-6-15-13-16-11(14-7-4-9(2)18)10-5-8-19-12(10)17-13/h5,8-9,18H,3-4,6-7H2,1-2H3,(H2,14,15,16,17)
InChIKeyJXGAEKQXHWFFLS-UHFFFAOYSA-N
XLogP2.70
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 ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

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Related Compounds

4-methyl-1-[[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]pentan-2-ol
CID 107159683
4-N-pentyl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324258
5-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]pentan-2-ol
CID 106138174
4-N-[2-[methyl(propan-2-yl)amino]ethyl]-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103327329
5-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-2-ol
CID 106138733
2-[[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]acetamide
CID 103324159
6-[[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]hexan-1-ol
CID 107855237
4-N-(2-methylsulfonylethyl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103325366
4-N-pentan-3-yl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324118
3-[[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butanamide
CID 103330351
2-N-propyl-4-N-(4,4,4-trifluorobutyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103329352
4-N-(1-methylsulfanylpropan-2-yl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103330019

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butan-2-ol?
The IUPAC name of 4-[[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butan-2-ol (CID 103328395) is 4-[[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butan-2-ol.
What is the SMILES notation for 4-[[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butan-2-ol?
The canonical SMILES for 4-[[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butan-2-ol is CCCNc1nc(NCCC(C)O)c2ccsc2n1.
What is the InChIKey of 4-[[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butan-2-ol?
The InChIKey is JXGAEKQXHWFFLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4OS/c1-3-6-15-13-16-11(14-7-4-9(2)18)10-5-8-19-12(10)17-13/h5,8-9,18H,3-4,6-7H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 4-[[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butan-2-ol?
4-[[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butan-2-ol has a molecular weight of 280.40 g/mol, XLogP of 2.70, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butan-2-ol is sourced from PubChem (CID 103328395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).