N-[2-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]furan-2-carboxamide

C16H18N4O2S — CID 656352

IUPACN-[2-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]furan-2-carboxamide
SMILESCc1nc(NCCNC(=O)c2ccco2)c2c(C)c(C)sc2n1
InChIInChI=1S/C16H18N4O2S/c1-9-10(2)23-16-13(9)14(19-11(3)20-16)17-6-7-18-15(21)12-5-4-8-22-12/h4-5,8H,6-7H2,1-3H3,(H,18,21)(H,17,19,20)
InChIKeyNFPZBZMLOQBEPU-UHFFFAOYSA-N
MW330.41 g/mol
LogP3.05
Rot. Bonds5

About N-[2-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]furan-2-carboxamide

N-[2-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]furan-2-carboxamide (PubChem CID 656352) has the molecular formula C16H18N4O2S and a molecular weight of 330.41 g/mol. Its IUPAC name is N-[2-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]furan-2-carboxamide
PubChem CID656352
Molecular FormulaC16H18N4O2S
Molecular Weight330.41 g/mol
Exact Mass330.12
IUPAC NameN-[2-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]furan-2-carboxamide
SMILESCc1nc(NCCNC(=O)c2ccco2)c2c(C)c(C)sc2n1
InChIInChI=1S/C16H18N4O2S/c1-9-10(2)23-16-13(9)14(19-11(3)20-16)17-6-7-18-15(21)12-5-4-8-22-12/h4-5,8H,6-7H2,1-3H3,(H,18,21)(H,17,19,20)
InChIKeyNFPZBZMLOQBEPU-UHFFFAOYSA-N
XLogP3.05
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 53.05
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-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]furan-2-carboxamide (CID 656352) is N-[2-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]furan-2-carboxamide is Cc1nc(NCCNC(=O)c2ccco2)c2c(C)c(C)sc2n1.
What is the InChIKey of N-[2-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]furan-2-carboxamide?
The InChIKey is NFPZBZMLOQBEPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2S/c1-9-10(2)23-16-13(9)14(19-11(3)20-16)17-6-7-18-15(21)12-5-4-8-22-12/h4-5,8H,6-7H2,1-3H3,(H,18,21)(H,17,19,20).
What are the key properties of N-[2-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]furan-2-carboxamide?
N-[2-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]furan-2-carboxamide has a molecular weight of 330.41 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]furan-2-carboxamide is sourced from PubChem (CID 656352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).