4-methoxy-N-[3-[(2-methoxyacetyl)amino]phenyl]-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide

C20H22N4O5S — CID 55564769

IUPAC4-methoxy-N-[3-[(2-methoxyacetyl)amino]phenyl]-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCOCC(=O)Nc1cccc(NC(=O)c2sc3nc(COC)nc(OC)c3c2C)c1
InChIInChI=1S/C20H22N4O5S/c1-11-16-19(29-4)23-14(9-27-2)24-20(16)30-17(11)18(26)22-13-7-5-6-12(8-13)21-15(25)10-28-3/h5-8H,9-10H2,1-4H3,(H,21,25)(H,22,26)
InChIKeyNBOYNFKSJNERBM-UHFFFAOYSA-N
MW430.49 g/mol
LogP2.99
Rot. Bonds8

About 4-methoxy-N-[3-[(2-methoxyacetyl)amino]phenyl]-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide

4-methoxy-N-[3-[(2-methoxyacetyl)amino]phenyl]-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 55564769) has the molecular formula C20H22N4O5S and a molecular weight of 430.49 g/mol. Its IUPAC name is 4-methoxy-N-[3-[(2-methoxyacetyl)amino]phenyl]-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name4-methoxy-N-[3-[(2-methoxyacetyl)amino]phenyl]-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID55564769
Molecular FormulaC20H22N4O5S
Molecular Weight430.49 g/mol
Exact Mass430.13
IUPAC Name4-methoxy-N-[3-[(2-methoxyacetyl)amino]phenyl]-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCOCC(=O)Nc1cccc(NC(=O)c2sc3nc(COC)nc(OC)c3c2C)c1
InChIInChI=1S/C20H22N4O5S/c1-11-16-19(29-4)23-14(9-27-2)24-20(16)30-17(11)18(26)22-13-7-5-6-12(8-13)21-15(25)10-28-3/h5-8H,9-10H2,1-4H3,(H,21,25)(H,22,26)
InChIKeyNBOYNFKSJNERBM-UHFFFAOYSA-N
XLogP2.99
TPSA111.67 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.49
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

4-methoxy-N-[4-[(2-methoxyacetyl)amino]phenyl]-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 55573855
4-methoxy-2-(methoxymethyl)-5-methyl-N-[3-(1-methyltetrazol-5-yl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 55498148
4-methoxy-2-(methoxymethyl)-5-methyl-N-(6-methyl-2-pyridinyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 17410371
4-methoxy-2-(methoxymethyl)-5-methyl-N-[3-(morpholine-4-carbonyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 55869198
4-methoxy-2-(methoxymethyl)-N-[4-(2-methoxyphenoxy)phenyl]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 55453289
N-(4-hydroxy-2-methylphenyl)-4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 99810135
4-methoxy-2-(methoxymethyl)-5-methyl-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 55837983
4-fluoro-N-[3-[(2-methoxyacetyl)amino]phenyl]-3-methyl-1-benzothiophene-2-carboxamide
CID 55567162
4-methoxy-2-(methoxymethyl)-5-methyl-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 154762820
N-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]-4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 55933793
4-methoxy-2-(methoxymethyl)-5-methyl-N-[2-(2-phenylethylcarbamoyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 55451194
4-methoxy-2-(methoxymethyl)-5-methyl-N-[(3-phenylmethoxyphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 55847302

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[3-[(2-methoxyacetyl)amino]phenyl]-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 4-methoxy-N-[3-[(2-methoxyacetyl)amino]phenyl]-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide (CID 55564769) is 4-methoxy-N-[3-[(2-methoxyacetyl)amino]phenyl]-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 4-methoxy-N-[3-[(2-methoxyacetyl)amino]phenyl]-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 4-methoxy-N-[3-[(2-methoxyacetyl)amino]phenyl]-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide is COCC(=O)Nc1cccc(NC(=O)c2sc3nc(COC)nc(OC)c3c2C)c1.
What is the InChIKey of 4-methoxy-N-[3-[(2-methoxyacetyl)amino]phenyl]-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is NBOYNFKSJNERBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O5S/c1-11-16-19(29-4)23-14(9-27-2)24-20(16)30-17(11)18(26)22-13-7-5-6-12(8-13)21-15(25)10-28-3/h5-8H,9-10H2,1-4H3,(H,21,25)(H,22,26).
What are the key properties of 4-methoxy-N-[3-[(2-methoxyacetyl)amino]phenyl]-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide?
4-methoxy-N-[3-[(2-methoxyacetyl)amino]phenyl]-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 430.49 g/mol, XLogP of 2.99, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[3-[(2-methoxyacetyl)amino]phenyl]-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 55564769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).