1-[[6-ethyl-2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]pentan-3-ol

C15H24N4OS — CID 103330320

IUPAC1-[[6-ethyl-2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]pentan-3-ol
SMILESCCNc1nc(NCCC(O)CC)c2cc(CC)sc2n1
InChIInChI=1S/C15H24N4OS/c1-4-10(20)7-8-17-13-12-9-11(5-2)21-14(12)19-15(18-13)16-6-3/h9-10,20H,4-8H2,1-3H3,(H2,16,17,18,19)
InChIKeyVXGCJSVGOJAUBD-UHFFFAOYSA-N
MW308.45 g/mol
LogP3.26
Rot. Bonds8

About 1-[[6-ethyl-2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]pentan-3-ol

1-[[6-ethyl-2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]pentan-3-ol (PubChem CID 103330320) has the molecular formula C15H24N4OS and a molecular weight of 308.45 g/mol. Its IUPAC name is 1-[[6-ethyl-2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]pentan-3-ol.

Molecular Properties

Compound Name1-[[6-ethyl-2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]pentan-3-ol
PubChem CID103330320
Molecular FormulaC15H24N4OS
Molecular Weight308.45 g/mol
Exact Mass308.17
IUPAC Name1-[[6-ethyl-2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]pentan-3-ol
SMILESCCNc1nc(NCCC(O)CC)c2cc(CC)sc2n1
InChIInChI=1S/C15H24N4OS/c1-4-10(20)7-8-17-13-12-9-11(5-2)21-14(12)19-15(18-13)16-6-3/h9-10,20H,4-8H2,1-3H3,(H2,16,17,18,19)
InChIKeyVXGCJSVGOJAUBD-UHFFFAOYSA-N
XLogP3.26
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

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Related Compounds

2-[2-[[6-ethyl-2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]ethoxy]ethanol
CID 103327253
4-N-(2,2-dimethylbutyl)-2-N,6-diethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103466672
4-N,6-diethyl-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324155
N,6-diethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-amine
CID 103335153
6-ethyl-2-N-methyl-4-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324044
[1-[[[6-ethyl-2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]cyclopropyl]methanol
CID 103329341
2-[(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol
CID 103335072
3-[[[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]pentan-1-ol
CID 103329093
1-[[2-(ethylamino)-5-methylpyrimidin-4-yl]amino]pentan-3-ol
CID 113498180
2-chloro-6-ethyl-N-(3-methylbutyl)thieno[2,3-d]pyrimidin-4-amine
CID 82066432
6-ethyl-4-N-pentan-2-yl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324208
2-[[2-(ethylamino)-6-methylthieno[2,3-d]pyrimidin-4-yl]amino]ethanol
CID 103324005

Frequently Asked Questions

What is the IUPAC name of 1-[[6-ethyl-2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]pentan-3-ol?
The IUPAC name of 1-[[6-ethyl-2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]pentan-3-ol (CID 103330320) is 1-[[6-ethyl-2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]pentan-3-ol.
What is the SMILES notation for 1-[[6-ethyl-2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]pentan-3-ol?
The canonical SMILES for 1-[[6-ethyl-2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]pentan-3-ol is CCNc1nc(NCCC(O)CC)c2cc(CC)sc2n1.
What is the InChIKey of 1-[[6-ethyl-2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]pentan-3-ol?
The InChIKey is VXGCJSVGOJAUBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4OS/c1-4-10(20)7-8-17-13-12-9-11(5-2)21-14(12)19-15(18-13)16-6-3/h9-10,20H,4-8H2,1-3H3,(H2,16,17,18,19).
What are the key properties of 1-[[6-ethyl-2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]pentan-3-ol?
1-[[6-ethyl-2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]pentan-3-ol has a molecular weight of 308.45 g/mol, XLogP of 3.26, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-ethyl-2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]pentan-3-ol is sourced from PubChem (CID 103330320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).