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

C16H19N3O2S — CID 133404351

IUPAC3-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-(furan-2-yl)butan-1-ol
SMILESCCc1nc(NC(C)CC(O)c2ccco2)c2ccsc2n1
InChIInChI=1S/C16H19N3O2S/c1-3-14-18-15(11-6-8-22-16(11)19-14)17-10(2)9-12(20)13-5-4-7-21-13/h4-8,10,12,20H,3,9H2,1-2H3,(H,17,18,19)
InChIKeyNEUZBOWIEFMFSS-UHFFFAOYSA-N
MW317.41 g/mol
LogP3.77
Rot. Bonds6

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

3-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-(furan-2-yl)butan-1-ol (PubChem CID 133404351) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is 3-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-(furan-2-yl)butan-1-ol.

Molecular Properties

Compound Name3-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-(furan-2-yl)butan-1-ol
PubChem CID133404351
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC Name3-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-(furan-2-yl)butan-1-ol
SMILESCCc1nc(NC(C)CC(O)c2ccco2)c2ccsc2n1
InChIInChI=1S/C16H19N3O2S/c1-3-14-18-15(11-6-8-22-16(11)19-14)17-10(2)9-12(20)13-5-4-7-21-13/h4-8,10,12,20H,3,9H2,1-2H3,(H,17,18,19)
InChIKeyNEUZBOWIEFMFSS-UHFFFAOYSA-N
XLogP3.77
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-(furan-2-yl)butan-1-ol with MolForge

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Related Compounds

ethyl 3-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]butanoate
CID 133404312
(2S)-2-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-4-methylpentanoic acid
CID 122050114
N-but-3-en-2-yl-2-ethylthieno[2,3-d]pyrimidin-4-amine
CID 133404236
(1S,3S)-1-(furan-2-yl)-3-(furo[3,2-c]pyridin-4-ylamino)butan-1-ol
CID 97250105
(1R)-1-(2,6-difluorophenyl)-2-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol
CID 99776459
2-N-methyl-4-N-(4-methylpentan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324758
2-ethyl-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]thieno[2,3-d]pyrimidin-4-amine
CID 97327991
2-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-thiophen-3-ylethanol
CID 133418146
1-[(3-ethylthiophen-2-yl)methyl]-3-[(2S,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]urea
CID 97225360
1-[(3-ethylthiophen-2-yl)methyl]-3-[(2R,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]urea
CID 97225359
2-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-morpholin-4-yl-3-phenylpropan-1-one
CID 133474366
N-[(1S)-1-(furan-2-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 9031350

Frequently Asked Questions

What is the IUPAC name of 3-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-(furan-2-yl)butan-1-ol?
The IUPAC name of 3-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-(furan-2-yl)butan-1-ol (CID 133404351) is 3-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-(furan-2-yl)butan-1-ol.
What is the SMILES notation for 3-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-(furan-2-yl)butan-1-ol?
The canonical SMILES for 3-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-(furan-2-yl)butan-1-ol is CCc1nc(NC(C)CC(O)c2ccco2)c2ccsc2n1.
What is the InChIKey of 3-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-(furan-2-yl)butan-1-ol?
The InChIKey is NEUZBOWIEFMFSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S/c1-3-14-18-15(11-6-8-22-16(11)19-14)17-10(2)9-12(20)13-5-4-7-21-13/h4-8,10,12,20H,3,9H2,1-2H3,(H,17,18,19).
What are the key properties of 3-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-(furan-2-yl)butan-1-ol?
3-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-(furan-2-yl)butan-1-ol has a molecular weight of 317.41 g/mol, XLogP of 3.77, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-(furan-2-yl)butan-1-ol is sourced from PubChem (CID 133404351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).