2-[[5-(furan-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl-methylamino]-N-propylacetamide

C17H20N4O3S — CID 18197538

IUPAC2-[[5-(furan-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl-methylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)Cc1nc2scc(-c3ccco3)c2c(=O)[nH]1
InChIInChI=1S/C17H20N4O3S/c1-3-6-18-14(22)9-21(2)8-13-19-16(23)15-11(10-25-17(15)20-13)12-5-4-7-24-12/h4-5,7,10H,3,6,8-9H2,1-2H3,(H,18,22)(H,19,20,23)
InChIKeyMMKBXWZOHOWTOB-UHFFFAOYSA-N
MW360.44 g/mol
LogP2.20
Rot. Bonds7

About 2-[[5-(furan-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl-methylamino]-N-propylacetamide

2-[[5-(furan-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl-methylamino]-N-propylacetamide (PubChem CID 18197538) has the molecular formula C17H20N4O3S and a molecular weight of 360.44 g/mol. Its IUPAC name is 2-[[5-(furan-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl-methylamino]-N-propylacetamide.

Molecular Properties

Compound Name2-[[5-(furan-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl-methylamino]-N-propylacetamide
PubChem CID18197538
Molecular FormulaC17H20N4O3S
Molecular Weight360.44 g/mol
Exact Mass360.13
IUPAC Name2-[[5-(furan-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl-methylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)Cc1nc2scc(-c3ccco3)c2c(=O)[nH]1
InChIInChI=1S/C17H20N4O3S/c1-3-6-18-14(22)9-21(2)8-13-19-16(23)15-11(10-25-17(15)20-13)12-5-4-7-24-12/h4-5,7,10H,3,6,8-9H2,1-2H3,(H,18,22)(H,19,20,23)
InChIKeyMMKBXWZOHOWTOB-UHFFFAOYSA-N
XLogP2.20
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(furan-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl-methylamino]-N-propylacetamide?
The IUPAC name of 2-[[5-(furan-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl-methylamino]-N-propylacetamide (CID 18197538) is 2-[[5-(furan-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl-methylamino]-N-propylacetamide.
What is the SMILES notation for 2-[[5-(furan-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl-methylamino]-N-propylacetamide?
The canonical SMILES for 2-[[5-(furan-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl-methylamino]-N-propylacetamide is CCCNC(=O)CN(C)Cc1nc2scc(-c3ccco3)c2c(=O)[nH]1.
What is the InChIKey of 2-[[5-(furan-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl-methylamino]-N-propylacetamide?
The InChIKey is MMKBXWZOHOWTOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3S/c1-3-6-18-14(22)9-21(2)8-13-19-16(23)15-11(10-25-17(15)20-13)12-5-4-7-24-12/h4-5,7,10H,3,6,8-9H2,1-2H3,(H,18,22)(H,19,20,23).
What are the key properties of 2-[[5-(furan-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl-methylamino]-N-propylacetamide?
2-[[5-(furan-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl-methylamino]-N-propylacetamide has a molecular weight of 360.44 g/mol, XLogP of 2.20, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(furan-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl-methylamino]-N-propylacetamide is sourced from PubChem (CID 18197538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).