4-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-methoxybutan-2-ol

C13H19N3O2S — CID 133415292

IUPAC4-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-methoxybutan-2-ol
SMILESCCc1nc(NCCC(O)COC)c2ccsc2n1
InChIInChI=1S/C13H19N3O2S/c1-3-11-15-12(10-5-7-19-13(10)16-11)14-6-4-9(17)8-18-2/h5,7,9,17H,3-4,6,8H2,1-2H3,(H,14,15,16)
InChIKeyLAMVLVBFCNLTCA-UHFFFAOYSA-N
MW281.38 g/mol
LogP2.06
Rot. Bonds7

About 4-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-methoxybutan-2-ol

4-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-methoxybutan-2-ol (PubChem CID 133415292) has the molecular formula C13H19N3O2S and a molecular weight of 281.38 g/mol. Its IUPAC name is 4-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-methoxybutan-2-ol.

Molecular Properties

Compound Name4-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-methoxybutan-2-ol
PubChem CID133415292
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC Name4-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-methoxybutan-2-ol
SMILESCCc1nc(NCCC(O)COC)c2ccsc2n1
InChIInChI=1S/C13H19N3O2S/c1-3-11-15-12(10-5-7-19-13(10)16-11)14-6-4-9(17)8-18-2/h5,7,9,17H,3-4,6,8H2,1-2H3,(H,14,15,16)
InChIKeyLAMVLVBFCNLTCA-UHFFFAOYSA-N
XLogP2.06
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-methoxybutan-2-ol?
The IUPAC name of 4-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-methoxybutan-2-ol (CID 133415292) is 4-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-methoxybutan-2-ol.
What is the SMILES notation for 4-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-methoxybutan-2-ol?
The canonical SMILES for 4-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-methoxybutan-2-ol is CCc1nc(NCCC(O)COC)c2ccsc2n1.
What is the InChIKey of 4-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-methoxybutan-2-ol?
The InChIKey is LAMVLVBFCNLTCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S/c1-3-11-15-12(10-5-7-19-13(10)16-11)14-6-4-9(17)8-18-2/h5,7,9,17H,3-4,6,8H2,1-2H3,(H,14,15,16).
What are the key properties of 4-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-methoxybutan-2-ol?
4-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-methoxybutan-2-ol has a molecular weight of 281.38 g/mol, XLogP of 2.06, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-methoxybutan-2-ol is sourced from PubChem (CID 133415292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).