N-[2-[[4-(furan-2-yl)thieno[3,2-d]pyrimidin-2-yl]amino]ethyl]-3-methylbutanamide

C17H20N4O2S — CID 59732373

IUPACN-[2-[[4-(furan-2-yl)thieno[3,2-d]pyrimidin-2-yl]amino]ethyl]-3-methylbutanamide
SMILESCC(C)CC(=O)NCCNc1nc(-c2ccco2)c2sccc2n1
InChIInChI=1S/C17H20N4O2S/c1-11(2)10-14(22)18-6-7-19-17-20-12-5-9-24-16(12)15(21-17)13-4-3-8-23-13/h3-5,8-9,11H,6-7,10H2,1-2H3,(H,18,22)(H,19,20,21)
InChIKeyLMXYUMVTEPOUMF-UHFFFAOYSA-N
MW344.44 g/mol
LogP3.53
Rot. Bonds7

About N-[2-[[4-(furan-2-yl)thieno[3,2-d]pyrimidin-2-yl]amino]ethyl]-3-methylbutanamide

N-[2-[[4-(furan-2-yl)thieno[3,2-d]pyrimidin-2-yl]amino]ethyl]-3-methylbutanamide (PubChem CID 59732373) has the molecular formula C17H20N4O2S and a molecular weight of 344.44 g/mol. Its IUPAC name is N-[2-[[4-(furan-2-yl)thieno[3,2-d]pyrimidin-2-yl]amino]ethyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[2-[[4-(furan-2-yl)thieno[3,2-d]pyrimidin-2-yl]amino]ethyl]-3-methylbutanamide
PubChem CID59732373
Molecular FormulaC17H20N4O2S
Molecular Weight344.44 g/mol
Exact Mass344.13
IUPAC NameN-[2-[[4-(furan-2-yl)thieno[3,2-d]pyrimidin-2-yl]amino]ethyl]-3-methylbutanamide
SMILESCC(C)CC(=O)NCCNc1nc(-c2ccco2)c2sccc2n1
InChIInChI=1S/C17H20N4O2S/c1-11(2)10-14(22)18-6-7-19-17-20-12-5-9-24-16(12)15(21-17)13-4-3-8-23-13/h3-5,8-9,11H,6-7,10H2,1-2H3,(H,18,22)(H,19,20,21)
InChIKeyLMXYUMVTEPOUMF-UHFFFAOYSA-N
XLogP3.53
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-(furan-2-yl)thieno[3,2-d]pyrimidin-2-yl]amino]ethyl]-3-methylbutanamide?
The IUPAC name of N-[2-[[4-(furan-2-yl)thieno[3,2-d]pyrimidin-2-yl]amino]ethyl]-3-methylbutanamide (CID 59732373) is N-[2-[[4-(furan-2-yl)thieno[3,2-d]pyrimidin-2-yl]amino]ethyl]-3-methylbutanamide.
What is the SMILES notation for N-[2-[[4-(furan-2-yl)thieno[3,2-d]pyrimidin-2-yl]amino]ethyl]-3-methylbutanamide?
The canonical SMILES for N-[2-[[4-(furan-2-yl)thieno[3,2-d]pyrimidin-2-yl]amino]ethyl]-3-methylbutanamide is CC(C)CC(=O)NCCNc1nc(-c2ccco2)c2sccc2n1.
What is the InChIKey of N-[2-[[4-(furan-2-yl)thieno[3,2-d]pyrimidin-2-yl]amino]ethyl]-3-methylbutanamide?
The InChIKey is LMXYUMVTEPOUMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2S/c1-11(2)10-14(22)18-6-7-19-17-20-12-5-9-24-16(12)15(21-17)13-4-3-8-23-13/h3-5,8-9,11H,6-7,10H2,1-2H3,(H,18,22)(H,19,20,21).
What are the key properties of N-[2-[[4-(furan-2-yl)thieno[3,2-d]pyrimidin-2-yl]amino]ethyl]-3-methylbutanamide?
N-[2-[[4-(furan-2-yl)thieno[3,2-d]pyrimidin-2-yl]amino]ethyl]-3-methylbutanamide has a molecular weight of 344.44 g/mol, XLogP of 3.53, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-(furan-2-yl)thieno[3,2-d]pyrimidin-2-yl]amino]ethyl]-3-methylbutanamide is sourced from PubChem (CID 59732373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).