6-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-(furan-2-ylmethyl)hexanamide

C17H19N3O4S — CID 4191578

IUPAC6-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-(furan-2-ylmethyl)hexanamide
SMILESO=C(CCCCCn1c(=O)[nH]c2ccsc2c1=O)NCc1ccco1
InChIInChI=1S/C17H19N3O4S/c21-14(18-11-12-5-4-9-24-12)6-2-1-3-8-20-16(22)15-13(7-10-25-15)19-17(20)23/h4-5,7,9-10H,1-3,6,8,11H2,(H,18,21)(H,19,23)
InChIKeyKCGKLJXPTZSWKW-UHFFFAOYSA-N
MW361.42 g/mol
LogP2.22
Rot. Bonds8

About 6-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-(furan-2-ylmethyl)hexanamide

6-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-(furan-2-ylmethyl)hexanamide (PubChem CID 4191578) has the molecular formula C17H19N3O4S and a molecular weight of 361.42 g/mol. Its IUPAC name is 6-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-(furan-2-ylmethyl)hexanamide.

Molecular Properties

Compound Name6-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-(furan-2-ylmethyl)hexanamide
PubChem CID4191578
Molecular FormulaC17H19N3O4S
Molecular Weight361.42 g/mol
Exact Mass361.11
IUPAC Name6-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-(furan-2-ylmethyl)hexanamide
SMILESO=C(CCCCCn1c(=O)[nH]c2ccsc2c1=O)NCc1ccco1
InChIInChI=1S/C17H19N3O4S/c21-14(18-11-12-5-4-9-24-12)6-2-1-3-8-20-16(22)15-13(7-10-25-15)19-17(20)23/h4-5,7,9-10H,1-3,6,8,11H2,(H,18,21)(H,19,23)
InChIKeyKCGKLJXPTZSWKW-UHFFFAOYSA-N
XLogP2.22
TPSA97.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-(furan-2-ylmethyl)hexanamide with MolForge

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

Launch Full Analysis

Related Compounds

6-(2,4-dioxo-1H-quinazolin-3-yl)-N-(furan-2-ylmethyl)hexanamide
CID 4639143
5-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-[(4-methylphenyl)methyl]pentanamide
CID 2135221
2-[4-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)phenyl]-N-(furan-2-ylmethyl)acetamide
CID 18592379
5-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-phenylpentanamide
CID 22422855
4-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-(2-methoxyethyl)butanamide
CID 15987974
6-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-(2-ethylhexyl)hexanamide
CID 15987960
4-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-(4-fluorophenyl)butanamide
CID 4583348
2-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 4116003
N-[(2-chlorophenyl)methyl]-6-(4-oxo-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-3-yl)hexanamide
CID 3269971
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)pentanamide
CID 22422815
ethyl 5-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)pentanoate
CID 22449763
11-(1,3-dioxoisoindol-2-yl)-N-(furan-2-ylmethyl)undecanamide
CID 8796994

Frequently Asked Questions

What is the IUPAC name of 6-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-(furan-2-ylmethyl)hexanamide?
The IUPAC name of 6-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-(furan-2-ylmethyl)hexanamide (CID 4191578) is 6-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-(furan-2-ylmethyl)hexanamide.
What is the SMILES notation for 6-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-(furan-2-ylmethyl)hexanamide?
The canonical SMILES for 6-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-(furan-2-ylmethyl)hexanamide is O=C(CCCCCn1c(=O)[nH]c2ccsc2c1=O)NCc1ccco1.
What is the InChIKey of 6-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-(furan-2-ylmethyl)hexanamide?
The InChIKey is KCGKLJXPTZSWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4S/c21-14(18-11-12-5-4-9-24-12)6-2-1-3-8-20-16(22)15-13(7-10-25-15)19-17(20)23/h4-5,7,9-10H,1-3,6,8,11H2,(H,18,21)(H,19,23).
What are the key properties of 6-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-(furan-2-ylmethyl)hexanamide?
6-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-(furan-2-ylmethyl)hexanamide has a molecular weight of 361.42 g/mol, XLogP of 2.22, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-(furan-2-ylmethyl)hexanamide is sourced from PubChem (CID 4191578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).