N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine

C18H22N4OS — CID 4880718

IUPACN-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2ncnc(NCC(c3ccco3)N3CCCC3)c2c1C
InChIInChI=1S/C18H22N4OS/c1-12-13(2)24-18-16(12)17(20-11-21-18)19-10-14(15-6-5-9-23-15)22-7-3-4-8-22/h5-6,9,11,14H,3-4,7-8,10H2,1-2H3,(H,19,20,21)
InChIKeyQWYQBXMPVKVMCU-UHFFFAOYSA-N
MW342.47 g/mol
LogP4.15
Rot. Bonds5

About N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine

N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 4880718) has the molecular formula C18H22N4OS and a molecular weight of 342.47 g/mol. Its IUPAC name is N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
PubChem CID4880718
Molecular FormulaC18H22N4OS
Molecular Weight342.47 g/mol
Exact Mass342.15
IUPAC NameN-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2ncnc(NCC(c3ccco3)N3CCCC3)c2c1C
InChIInChI=1S/C18H22N4OS/c1-12-13(2)24-18-16(12)17(20-11-21-18)19-10-14(15-6-5-9-23-15)22-7-3-4-8-22/h5-6,9,11,14H,3-4,7-8,10H2,1-2H3,(H,19,20,21)
InChIKeyQWYQBXMPVKVMCU-UHFFFAOYSA-N
XLogP4.15
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.47
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine (CID 4880718) is N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine is Cc1sc2ncnc(NCC(c3ccco3)N3CCCC3)c2c1C.
What is the InChIKey of N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is QWYQBXMPVKVMCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4OS/c1-12-13(2)24-18-16(12)17(20-11-21-18)19-10-14(15-6-5-9-23-15)22-7-3-4-8-22/h5-6,9,11,14H,3-4,7-8,10H2,1-2H3,(H,19,20,21).
What are the key properties of N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 342.47 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 4880718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).