5-[[4-(methoxymethyl)phenyl]methoxymethyl]-N-[(3-methoxyphenyl)methyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxamide

C25H25N3O5S — CID 59652386

IUPAC5-[[4-(methoxymethyl)phenyl]methoxymethyl]-N-[(3-methoxyphenyl)methyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxamide
SMILESCOCc1ccc(COCc2csc3nc(C(=O)NCc4cccc(OC)c4)[nH]c(=O)c23)cc1
InChIInChI=1S/C25H25N3O5S/c1-31-12-16-6-8-17(9-7-16)13-33-14-19-15-34-25-21(19)23(29)27-22(28-25)24(30)26-11-18-4-3-5-20(10-18)32-2/h3-10,15H,11-14H2,1-2H3,(H,26,30)(H,27,28,29)
InChIKeyRTIBCEGUDLBWSW-UHFFFAOYSA-N
MW479.56 g/mol
LogP3.79
Rot. Bonds10

About 5-[[4-(methoxymethyl)phenyl]methoxymethyl]-N-[(3-methoxyphenyl)methyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxamide

5-[[4-(methoxymethyl)phenyl]methoxymethyl]-N-[(3-methoxyphenyl)methyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxamide (PubChem CID 59652386) has the molecular formula C25H25N3O5S and a molecular weight of 479.56 g/mol. Its IUPAC name is 5-[[4-(methoxymethyl)phenyl]methoxymethyl]-N-[(3-methoxyphenyl)methyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name5-[[4-(methoxymethyl)phenyl]methoxymethyl]-N-[(3-methoxyphenyl)methyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxamide
PubChem CID59652386
Molecular FormulaC25H25N3O5S
Molecular Weight479.56 g/mol
Exact Mass479.15
IUPAC Name5-[[4-(methoxymethyl)phenyl]methoxymethyl]-N-[(3-methoxyphenyl)methyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxamide
SMILESCOCc1ccc(COCc2csc3nc(C(=O)NCc4cccc(OC)c4)[nH]c(=O)c23)cc1
InChIInChI=1S/C25H25N3O5S/c1-31-12-16-6-8-17(9-7-16)13-33-14-19-15-34-25-21(19)23(29)27-22(28-25)24(30)26-11-18-4-3-5-20(10-18)32-2/h3-10,15H,11-14H2,1-2H3,(H,26,30)(H,27,28,29)
InChIKeyRTIBCEGUDLBWSW-UHFFFAOYSA-N
XLogP3.79
TPSA102.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.56
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-(methoxymethyl)phenyl]methoxymethyl]-N-[(3-methoxyphenyl)methyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxamide?
The IUPAC name of 5-[[4-(methoxymethyl)phenyl]methoxymethyl]-N-[(3-methoxyphenyl)methyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxamide (CID 59652386) is 5-[[4-(methoxymethyl)phenyl]methoxymethyl]-N-[(3-methoxyphenyl)methyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxamide.
What is the SMILES notation for 5-[[4-(methoxymethyl)phenyl]methoxymethyl]-N-[(3-methoxyphenyl)methyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxamide?
The canonical SMILES for 5-[[4-(methoxymethyl)phenyl]methoxymethyl]-N-[(3-methoxyphenyl)methyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxamide is COCc1ccc(COCc2csc3nc(C(=O)NCc4cccc(OC)c4)[nH]c(=O)c23)cc1.
What is the InChIKey of 5-[[4-(methoxymethyl)phenyl]methoxymethyl]-N-[(3-methoxyphenyl)methyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxamide?
The InChIKey is RTIBCEGUDLBWSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O5S/c1-31-12-16-6-8-17(9-7-16)13-33-14-19-15-34-25-21(19)23(29)27-22(28-25)24(30)26-11-18-4-3-5-20(10-18)32-2/h3-10,15H,11-14H2,1-2H3,(H,26,30)(H,27,28,29).
What are the key properties of 5-[[4-(methoxymethyl)phenyl]methoxymethyl]-N-[(3-methoxyphenyl)methyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxamide?
5-[[4-(methoxymethyl)phenyl]methoxymethyl]-N-[(3-methoxyphenyl)methyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxamide has a molecular weight of 479.56 g/mol, XLogP of 3.79, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(methoxymethyl)phenyl]methoxymethyl]-N-[(3-methoxyphenyl)methyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxamide is sourced from PubChem (CID 59652386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).