2-[[6-(4-methoxyphenyl)-4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl]methyl-methylamino]-N-propylacetamide

C20H24N4O3S — CID 135971039

IUPAC2-[[6-(4-methoxyphenyl)-4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl]methyl-methylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)Cc1nc2cc(-c3ccc(OC)cc3)sc2c(=O)[nH]1
InChIInChI=1S/C20H24N4O3S/c1-4-9-21-18(25)12-24(2)11-17-22-15-10-16(28-19(15)20(26)23-17)13-5-7-14(27-3)8-6-13/h5-8,10H,4,9,11-12H2,1-3H3,(H,21,25)(H,22,23,26)
InChIKeyIGKSFQGEYSJWIL-UHFFFAOYSA-N
MW400.50 g/mol
LogP2.62
Rot. Bonds8

About 2-[[6-(4-methoxyphenyl)-4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl]methyl-methylamino]-N-propylacetamide

2-[[6-(4-methoxyphenyl)-4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl]methyl-methylamino]-N-propylacetamide (PubChem CID 135971039) has the molecular formula C20H24N4O3S and a molecular weight of 400.50 g/mol. Its IUPAC name is 2-[[6-(4-methoxyphenyl)-4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl]methyl-methylamino]-N-propylacetamide.

Molecular Properties

Compound Name2-[[6-(4-methoxyphenyl)-4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl]methyl-methylamino]-N-propylacetamide
PubChem CID135971039
Molecular FormulaC20H24N4O3S
Molecular Weight400.50 g/mol
Exact Mass400.16
IUPAC Name2-[[6-(4-methoxyphenyl)-4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl]methyl-methylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)Cc1nc2cc(-c3ccc(OC)cc3)sc2c(=O)[nH]1
InChIInChI=1S/C20H24N4O3S/c1-4-9-21-18(25)12-24(2)11-17-22-15-10-16(28-19(15)20(26)23-17)13-5-7-14(27-3)8-6-13/h5-8,10H,4,9,11-12H2,1-3H3,(H,21,25)(H,22,23,26)
InChIKeyIGKSFQGEYSJWIL-UHFFFAOYSA-N
XLogP2.62
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-(4-methoxyphenyl)-4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl]methyl-methylamino]-N-propylacetamide?
The IUPAC name of 2-[[6-(4-methoxyphenyl)-4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl]methyl-methylamino]-N-propylacetamide (CID 135971039) is 2-[[6-(4-methoxyphenyl)-4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl]methyl-methylamino]-N-propylacetamide.
What is the SMILES notation for 2-[[6-(4-methoxyphenyl)-4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl]methyl-methylamino]-N-propylacetamide?
The canonical SMILES for 2-[[6-(4-methoxyphenyl)-4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl]methyl-methylamino]-N-propylacetamide is CCCNC(=O)CN(C)Cc1nc2cc(-c3ccc(OC)cc3)sc2c(=O)[nH]1.
What is the InChIKey of 2-[[6-(4-methoxyphenyl)-4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl]methyl-methylamino]-N-propylacetamide?
The InChIKey is IGKSFQGEYSJWIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3S/c1-4-9-21-18(25)12-24(2)11-17-22-15-10-16(28-19(15)20(26)23-17)13-5-7-14(27-3)8-6-13/h5-8,10H,4,9,11-12H2,1-3H3,(H,21,25)(H,22,23,26).
What are the key properties of 2-[[6-(4-methoxyphenyl)-4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl]methyl-methylamino]-N-propylacetamide?
2-[[6-(4-methoxyphenyl)-4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl]methyl-methylamino]-N-propylacetamide has a molecular weight of 400.50 g/mol, XLogP of 2.62, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(4-methoxyphenyl)-4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl]methyl-methylamino]-N-propylacetamide is sourced from PubChem (CID 135971039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).