4-methoxy-2-(methoxymethyl)-5-methyl-N-[(4-methylsulfonylphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide

C19H21N3O5S2 — CID 55694844

IUPAC4-methoxy-2-(methoxymethyl)-5-methyl-N-[(4-methylsulfonylphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCOCc1nc(OC)c2c(C)c(C(=O)NCc3ccc(S(C)(=O)=O)cc3)sc2n1
InChIInChI=1S/C19H21N3O5S2/c1-11-15-18(27-3)21-14(10-26-2)22-19(15)28-16(11)17(23)20-9-12-5-7-13(8-6-12)29(4,24)25/h5-8H,9-10H2,1-4H3,(H,20,23)
InChIKeyVWOPNCUIHVWHKY-UHFFFAOYSA-N
MW435.53 g/mol
LogP2.49
Rot. Bonds7

About 4-methoxy-2-(methoxymethyl)-5-methyl-N-[(4-methylsulfonylphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide

4-methoxy-2-(methoxymethyl)-5-methyl-N-[(4-methylsulfonylphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 55694844) has the molecular formula C19H21N3O5S2 and a molecular weight of 435.53 g/mol. Its IUPAC name is 4-methoxy-2-(methoxymethyl)-5-methyl-N-[(4-methylsulfonylphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name4-methoxy-2-(methoxymethyl)-5-methyl-N-[(4-methylsulfonylphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID55694844
Molecular FormulaC19H21N3O5S2
Molecular Weight435.53 g/mol
Exact Mass435.09
IUPAC Name4-methoxy-2-(methoxymethyl)-5-methyl-N-[(4-methylsulfonylphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCOCc1nc(OC)c2c(C)c(C(=O)NCc3ccc(S(C)(=O)=O)cc3)sc2n1
InChIInChI=1S/C19H21N3O5S2/c1-11-15-18(27-3)21-14(10-26-2)22-19(15)28-16(11)17(23)20-9-12-5-7-13(8-6-12)29(4,24)25/h5-8H,9-10H2,1-4H3,(H,20,23)
InChIKeyVWOPNCUIHVWHKY-UHFFFAOYSA-N
XLogP2.49
TPSA107.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[(2-ethyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)thio]-N-(2-furanylmethyl)acetamide
CID 651813
Ethyl 2,5-dimethyl-4-[2-(4-sulfamoylphenyl)ethylamino]thieno[2,3-d]pyrimidine-6-carboxylate
CID 4850085
RHI002-Me
CID 1068336
Ethyl 4-[(2-methoxybenzyl)amino]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate
CID 6615359
N-(2-Methoxyethyl)-4-{[2-(4-methoxyphenyl)ethyl]amino}-5-methylthieno[2,3-D]pyrimidine-6-carboxamide
CID 26359135
N-[(2-Methoxyphenyl)methyl]-2,5-dimethyl-4-(piperidin-1-YL)thieno[2,3-D]pyrimidine-6-carboxamide
CID 3567641
4-(diethylamino)-N-[(2-methoxyphenyl)methyl]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 3494828
N-[(2-methoxyphenyl)methyl]-2,5-dimethyl-4-(4-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 6617176
N-[(4-ethylsulfonylphenyl)methyl]-2,5-dimethyl-4-[[4-(trifluoromethyl)cyclohexyl]methoxy]thieno[2,3-d]pyrimidine-6-carboxamide
CID 141529941
N-[(4-ethylsulfonylphenyl)methyl]-2,5-dimethyl-4-[[4-(trifluoromethyl)phenyl]methoxy]thieno[2,3-d]pyrimidine-6-carboxamide
CID 145315137
N-[1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]-2,5-dimethyl-4-[[4-(trifluoromethyl)cyclohexyl]methoxy]thieno[2,3-d]pyrimidine-6-carboxamide
CID 153327486
N-[1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]-2,5-dimethyl-4-[[4-(trifluoromethyl)phenyl]methoxy]thieno[2,3-d]pyrimidine-6-carboxamide
CID 153327523

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(methoxymethyl)-5-methyl-N-[(4-methylsulfonylphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 4-methoxy-2-(methoxymethyl)-5-methyl-N-[(4-methylsulfonylphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide (CID 55694844) is 4-methoxy-2-(methoxymethyl)-5-methyl-N-[(4-methylsulfonylphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 4-methoxy-2-(methoxymethyl)-5-methyl-N-[(4-methylsulfonylphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 4-methoxy-2-(methoxymethyl)-5-methyl-N-[(4-methylsulfonylphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide is COCc1nc(OC)c2c(C)c(C(=O)NCc3ccc(S(C)(=O)=O)cc3)sc2n1.
What is the InChIKey of 4-methoxy-2-(methoxymethyl)-5-methyl-N-[(4-methylsulfonylphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is VWOPNCUIHVWHKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O5S2/c1-11-15-18(27-3)21-14(10-26-2)22-19(15)28-16(11)17(23)20-9-12-5-7-13(8-6-12)29(4,24)25/h5-8H,9-10H2,1-4H3,(H,20,23).
What are the key properties of 4-methoxy-2-(methoxymethyl)-5-methyl-N-[(4-methylsulfonylphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide?
4-methoxy-2-(methoxymethyl)-5-methyl-N-[(4-methylsulfonylphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 435.53 g/mol, XLogP of 2.49, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(methoxymethyl)-5-methyl-N-[(4-methylsulfonylphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 55694844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).