4-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-2-ol

C13H20N4OS — CID 103329690

IUPAC4-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-2-ol
SMILESCCc1cc2c(NC(C)CC(C)O)nc(N)nc2s1
InChIInChI=1S/C13H20N4OS/c1-4-9-6-10-11(15-7(2)5-8(3)18)16-13(14)17-12(10)19-9/h6-8,18H,4-5H2,1-3H3,(H3,14,15,16,17)
InChIKeyJXLBXBJPGYGONR-UHFFFAOYSA-N
MW280.40 g/mol
LogP2.41
Rot. Bonds5

About 4-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-2-ol

4-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-2-ol (PubChem CID 103329690) has the molecular formula C13H20N4OS and a molecular weight of 280.40 g/mol. Its IUPAC name is 4-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-2-ol.

Molecular Properties

Compound Name4-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-2-ol
PubChem CID103329690
Molecular FormulaC13H20N4OS
Molecular Weight280.40 g/mol
Exact Mass280.14
IUPAC Name4-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-2-ol
SMILESCCc1cc2c(NC(C)CC(C)O)nc(N)nc2s1
InChIInChI=1S/C13H20N4OS/c1-4-9-6-10-11(15-7(2)5-8(3)18)16-13(14)17-12(10)19-9/h6-8,18H,4-5H2,1-3H3,(H3,14,15,16,17)
InChIKeyJXLBXBJPGYGONR-UHFFFAOYSA-N
XLogP2.41
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.40
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]propan-2-ol
CID 103324846
6-ethyl-4-N-(1-ethylsulfanylpropan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103330332
4-N-[4-(dimethylamino)butan-2-yl]-6-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103326193
methyl 2-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate
CID 103326065
methyl 2-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-3-methylbutanoate
CID 103326674
4-N-(2,2-difluoroethyl)-6-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103329333
6-ethyl-4-N-(5-methylhexyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103329299
6-ethyl-4-N-(2-pyrrolidin-1-ylpropyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103329267
4-N-(2,2-dimethylbutyl)-6-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103466671
2-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-2-ethylbutan-1-ol
CID 103327283
6-ethyl-4-N-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103329523
4-N-cyclobutyl-6-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103327219

Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-2-ol?
The IUPAC name of 4-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-2-ol (CID 103329690) is 4-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-2-ol.
What is the SMILES notation for 4-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-2-ol?
The canonical SMILES for 4-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-2-ol is CCc1cc2c(NC(C)CC(C)O)nc(N)nc2s1.
What is the InChIKey of 4-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-2-ol?
The InChIKey is JXLBXBJPGYGONR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4OS/c1-4-9-6-10-11(15-7(2)5-8(3)18)16-13(14)17-12(10)19-9/h6-8,18H,4-5H2,1-3H3,(H3,14,15,16,17).
What are the key properties of 4-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-2-ol?
4-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-2-ol has a molecular weight of 280.40 g/mol, XLogP of 2.41, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-2-ol is sourced from PubChem (CID 103329690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).