N-cyclopentyl-2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide

C18H19N3O2S — CID 51338568

IUPACN-cyclopentyl-2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1nc(-c2ccco2)nc2sc(C(=O)NC3CCCC3)c(C)c12
InChIInChI=1S/C18H19N3O2S/c1-10-14-11(2)19-16(13-8-5-9-23-13)21-18(14)24-15(10)17(22)20-12-6-3-4-7-12/h5,8-9,12H,3-4,6-7H2,1-2H3,(H,20,22)
InChIKeyDJZLEVKHWNDHNX-UHFFFAOYSA-N
MW341.44 g/mol
LogP4.24
Rot. Bonds3

About N-cyclopentyl-2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide

N-cyclopentyl-2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 51338568) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is N-cyclopentyl-2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID51338568
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC NameN-cyclopentyl-2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1nc(-c2ccco2)nc2sc(C(=O)NC3CCCC3)c(C)c12
InChIInChI=1S/C18H19N3O2S/c1-10-14-11(2)19-16(13-8-5-9-23-13)21-18(14)24-15(10)17(22)20-12-6-3-4-7-12/h5,8-9,12H,3-4,6-7H2,1-2H3,(H,20,22)
InChIKeyDJZLEVKHWNDHNX-UHFFFAOYSA-N
XLogP4.24
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-cyclopentyl-2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide (CID 51338568) is N-cyclopentyl-2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-cyclopentyl-2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-cyclopentyl-2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide is Cc1nc(-c2ccco2)nc2sc(C(=O)NC3CCCC3)c(C)c12.
What is the InChIKey of N-cyclopentyl-2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is DJZLEVKHWNDHNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-10-14-11(2)19-16(13-8-5-9-23-13)21-18(14)24-15(10)17(22)20-12-6-3-4-7-12/h5,8-9,12H,3-4,6-7H2,1-2H3,(H,20,22).
What are the key properties of N-cyclopentyl-2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide?
N-cyclopentyl-2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 341.44 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 51338568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).