5-[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]pentan-2-ol

C11H16N4OS — CID 114148662

IUPAC5-[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]pentan-2-ol
SMILESCC(O)CCCNc1nc(N)nc2sccc12
InChIInChI=1S/C11H16N4OS/c1-7(16)3-2-5-13-9-8-4-6-17-10(8)15-11(12)14-9/h4,6-7,16H,2-3,5H2,1H3,(H3,12,13,14,15)
InChIKeyFKCGLJHQQSCJFU-UHFFFAOYSA-N
MW252.34 g/mol
LogP1.85
Rot. Bonds5

About 5-[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]pentan-2-ol

5-[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]pentan-2-ol (PubChem CID 114148662) has the molecular formula C11H16N4OS and a molecular weight of 252.34 g/mol. Its IUPAC name is 5-[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]pentan-2-ol.

Molecular Properties

Compound Name5-[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]pentan-2-ol
PubChem CID114148662
Molecular FormulaC11H16N4OS
Molecular Weight252.34 g/mol
Exact Mass252.10
IUPAC Name5-[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]pentan-2-ol
SMILESCC(O)CCCNc1nc(N)nc2sccc12
InChIInChI=1S/C11H16N4OS/c1-7(16)3-2-5-13-9-8-4-6-17-10(8)15-11(12)14-9/h4,6-7,16H,2-3,5H2,1H3,(H3,12,13,14,15)
InChIKeyFKCGLJHQQSCJFU-UHFFFAOYSA-N
XLogP1.85
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-N-(7-methyloctyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 107818983
4-N-(3-methylbutyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324290
5-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-2-ol
CID 106138733
5-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]pentan-2-ol
CID 106138174
4-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324043
4-[[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butan-2-ol
CID 103328395
2-[[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]methyl]-2-ethylbutan-1-ol
CID 106258455
4-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327647
4-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103330644
2-[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]propanamide
CID 103325001
4-N-[2-(3,5-difluorophenyl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327318
N-[1-[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide
CID 103327980

Frequently Asked Questions

What is the IUPAC name of 5-[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]pentan-2-ol?
The IUPAC name of 5-[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]pentan-2-ol (CID 114148662) is 5-[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]pentan-2-ol.
What is the SMILES notation for 5-[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]pentan-2-ol?
The canonical SMILES for 5-[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]pentan-2-ol is CC(O)CCCNc1nc(N)nc2sccc12.
What is the InChIKey of 5-[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]pentan-2-ol?
The InChIKey is FKCGLJHQQSCJFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4OS/c1-7(16)3-2-5-13-9-8-4-6-17-10(8)15-11(12)14-9/h4,6-7,16H,2-3,5H2,1H3,(H3,12,13,14,15).
What are the key properties of 5-[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]pentan-2-ol?
5-[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]pentan-2-ol has a molecular weight of 252.34 g/mol, XLogP of 1.85, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]pentan-2-ol is sourced from PubChem (CID 114148662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).