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

C14H22N4OS — CID 103327286

IUPAC2-ethyl-2-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butan-1-ol
SMILESCCNc1nc(NC(CC)(CC)CO)c2ccsc2n1
InChIInChI=1S/C14H22N4OS/c1-4-14(5-2,9-19)18-11-10-7-8-20-12(10)17-13(16-11)15-6-3/h7-8,19H,4-6,9H2,1-3H3,(H2,15,16,17,18)
InChIKeyDOIOLLYOBYNSDP-UHFFFAOYSA-N
MW294.42 g/mol
LogP3.09
Rot. Bonds7

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

2-ethyl-2-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butan-1-ol (PubChem CID 103327286) has the molecular formula C14H22N4OS and a molecular weight of 294.42 g/mol. Its IUPAC name is 2-ethyl-2-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butan-1-ol.

Molecular Properties

Compound Name2-ethyl-2-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butan-1-ol
PubChem CID103327286
Molecular FormulaC14H22N4OS
Molecular Weight294.42 g/mol
Exact Mass294.15
IUPAC Name2-ethyl-2-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butan-1-ol
SMILESCCNc1nc(NC(CC)(CC)CO)c2ccsc2n1
InChIInChI=1S/C14H22N4OS/c1-4-14(5-2,9-19)18-11-10-7-8-20-12(10)17-13(16-11)15-6-3/h7-8,19H,4-6,9H2,1-3H3,(H2,15,16,17,18)
InChIKeyDOIOLLYOBYNSDP-UHFFFAOYSA-N
XLogP3.09
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

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Related Compounds

2-ethyl-2-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]butan-1-ol
CID 103333442
4-N-(3-ethylpentan-3-yl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103328432
2-ethyl-2-[[2-(ethylamino)quinazolin-4-yl]amino]butan-1-ol
CID 80804060
2-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butan-1-ol
CID 103324825
3-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]-2-methylbutan-1-ol
CID 103330143
2-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]cycloheptan-1-ol
CID 103329709
[1-[[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]cyclopentyl]methanol
CID 103329315
4-N-butyl-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324250
2-ethyl-2-(thieno[2,3-d]pyrimidin-4-ylamino)propane-1,3-diol
CID 103738500
2-N-methyl-4-N-(2-methylbutan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103323418
2-N-ethyl-4-N-(2-methylpropyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324100
[1-[[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]cyclopropyl]methanol
CID 103329346

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butan-1-ol?
The IUPAC name of 2-ethyl-2-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butan-1-ol (CID 103327286) is 2-ethyl-2-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butan-1-ol.
What is the SMILES notation for 2-ethyl-2-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butan-1-ol?
The canonical SMILES for 2-ethyl-2-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butan-1-ol is CCNc1nc(NC(CC)(CC)CO)c2ccsc2n1.
What is the InChIKey of 2-ethyl-2-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butan-1-ol?
The InChIKey is DOIOLLYOBYNSDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4OS/c1-4-14(5-2,9-19)18-11-10-7-8-20-12(10)17-13(16-11)15-6-3/h7-8,19H,4-6,9H2,1-3H3,(H2,15,16,17,18).
What are the key properties of 2-ethyl-2-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butan-1-ol?
2-ethyl-2-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butan-1-ol has a molecular weight of 294.42 g/mol, XLogP of 3.09, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butan-1-ol is sourced from PubChem (CID 103327286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).