4-methoxy-2-(methoxymethyl)-N,5-dimethyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]thieno[2,3-d]pyrimidine-6-carboxamide

C21H24N4O4S2 — CID 55451203

IUPAC4-methoxy-2-(methoxymethyl)-N,5-dimethyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCOCc1nc(OC)c2c(C)c(C(=O)N(C)CC(=O)Nc3ccccc3SC)sc2n1
InChIInChI=1S/C21H24N4O4S2/c1-12-17-19(29-4)23-15(11-28-3)24-20(17)31-18(12)21(27)25(2)10-16(26)22-13-8-6-7-9-14(13)30-5/h6-9H,10-11H2,1-5H3,(H,22,26)
InChIKeyBEOHPNZXUYRCMJ-UHFFFAOYSA-N
MW460.58 g/mol
LogP3.59
Rot. Bonds8

About 4-methoxy-2-(methoxymethyl)-N,5-dimethyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]thieno[2,3-d]pyrimidine-6-carboxamide

4-methoxy-2-(methoxymethyl)-N,5-dimethyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 55451203) has the molecular formula C21H24N4O4S2 and a molecular weight of 460.58 g/mol. Its IUPAC name is 4-methoxy-2-(methoxymethyl)-N,5-dimethyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name4-methoxy-2-(methoxymethyl)-N,5-dimethyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID55451203
Molecular FormulaC21H24N4O4S2
Molecular Weight460.58 g/mol
Exact Mass460.12
IUPAC Name4-methoxy-2-(methoxymethyl)-N,5-dimethyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCOCc1nc(OC)c2c(C)c(C(=O)N(C)CC(=O)Nc3ccccc3SC)sc2n1
InChIInChI=1S/C21H24N4O4S2/c1-12-17-19(29-4)23-15(11-28-3)24-20(17)31-18(12)21(27)25(2)10-16(26)22-13-8-6-7-9-14(13)30-5/h6-9H,10-11H2,1-5H3,(H,22,26)
InChIKeyBEOHPNZXUYRCMJ-UHFFFAOYSA-N
XLogP3.59
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.58
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[[4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]-methylamino]acetic acid
CID 119171989
4-methoxy-2-(methoxymethyl)-5-methyl-N-[2-(2-phenylethylcarbamoyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 55451194
4-methoxy-2-(methoxymethyl)-N-[[2-(methoxymethyl)phenyl]methyl]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 55588509
N-[1-(1-benzofuran-2-yl)ethyl]-4-methoxy-2-(methoxymethyl)-N,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 55551599
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-4-methoxy-2-(methoxymethyl)-N,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 55619209
4-methoxy-N-[4-[(2-methoxyacetyl)amino]phenyl]-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 55573855
N-[2-(diethylamino)-3-phenylpropyl]-4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 55635921
N-(3-indol-1-ylpropyl)-4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 134061820
4-methoxy-N-[3-[(2-methoxyacetyl)amino]phenyl]-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 55564769
N,3,4-trimethyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide
CID 9417071
4-methoxy-2-(methoxymethyl)-N-[4-(2-methoxyphenoxy)phenyl]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 55453289
4-methoxy-2-(methoxymethyl)-5-methyl-N-[2-(4-phenylmethoxyphenyl)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 55847371

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(methoxymethyl)-N,5-dimethyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 4-methoxy-2-(methoxymethyl)-N,5-dimethyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]thieno[2,3-d]pyrimidine-6-carboxamide (CID 55451203) is 4-methoxy-2-(methoxymethyl)-N,5-dimethyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 4-methoxy-2-(methoxymethyl)-N,5-dimethyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 4-methoxy-2-(methoxymethyl)-N,5-dimethyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]thieno[2,3-d]pyrimidine-6-carboxamide is COCc1nc(OC)c2c(C)c(C(=O)N(C)CC(=O)Nc3ccccc3SC)sc2n1.
What is the InChIKey of 4-methoxy-2-(methoxymethyl)-N,5-dimethyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is BEOHPNZXUYRCMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O4S2/c1-12-17-19(29-4)23-15(11-28-3)24-20(17)31-18(12)21(27)25(2)10-16(26)22-13-8-6-7-9-14(13)30-5/h6-9H,10-11H2,1-5H3,(H,22,26).
What are the key properties of 4-methoxy-2-(methoxymethyl)-N,5-dimethyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]thieno[2,3-d]pyrimidine-6-carboxamide?
4-methoxy-2-(methoxymethyl)-N,5-dimethyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 460.58 g/mol, XLogP of 3.59, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(methoxymethyl)-N,5-dimethyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 55451203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).