5-methyl-N-[[4-(4-methylphenoxy)phenyl]methyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide

C22H19N3O3S — CID 46978339

IUPAC5-methyl-N-[[4-(4-methylphenoxy)phenyl]methyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1ccc(Oc2ccc(CNC(=O)c3sc4nc[nH]c(=O)c4c3C)cc2)cc1
InChIInChI=1S/C22H19N3O3S/c1-13-3-7-16(8-4-13)28-17-9-5-15(6-10-17)11-23-21(27)19-14(2)18-20(26)24-12-25-22(18)29-19/h3-10,12H,11H2,1-2H3,(H,23,27)(H,24,25,26)
InChIKeyVZCQYLRHRVCZRM-UHFFFAOYSA-N
MW405.48 g/mol
LogP4.32
Rot. Bonds5

About 5-methyl-N-[[4-(4-methylphenoxy)phenyl]methyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide

5-methyl-N-[[4-(4-methylphenoxy)phenyl]methyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 46978339) has the molecular formula C22H19N3O3S and a molecular weight of 405.48 g/mol. Its IUPAC name is 5-methyl-N-[[4-(4-methylphenoxy)phenyl]methyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[[4-(4-methylphenoxy)phenyl]methyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID46978339
Molecular FormulaC22H19N3O3S
Molecular Weight405.48 g/mol
Exact Mass405.11
IUPAC Name5-methyl-N-[[4-(4-methylphenoxy)phenyl]methyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1ccc(Oc2ccc(CNC(=O)c3sc4nc[nH]c(=O)c4c3C)cc2)cc1
InChIInChI=1S/C22H19N3O3S/c1-13-3-7-16(8-4-13)28-17-9-5-15(6-10-17)11-23-21(27)19-14(2)18-20(26)24-12-25-22(18)29-19/h3-10,12H,11H2,1-2H3,(H,23,27)(H,24,25,26)
InChIKeyVZCQYLRHRVCZRM-UHFFFAOYSA-N
XLogP4.32
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-methyl-N-[[4-(4-methylphenoxy)phenyl]methyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide with MolForge

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Related Compounds

5-methyl-N-(4-methylphenyl)-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide;hydrochloride
CID 126476924
methyl 3-[(5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carbonyl)amino]propanoate
CID 60628973
N-[2-(4-methoxyphenyl)sulfonylethyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide
CID 46974358
N-(3-hydroxy-4-methoxybutyl)-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide
CID 106242685
N-(1,3-dihydroxypropan-2-yl)-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide
CID 65312350
5-methyl-4-oxo-N-[(3-propyl-1,2-oxazol-5-yl)methyl]-3H-thieno[2,3-d]pyrimidine-6-carboxamide
CID 131897091
ethyl 5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate
CID 731240
2-methyl-2-[(5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carbonyl)amino]propanoic acid
CID 39164975
(2S)-2-[(5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carbonyl)amino]butanoic acid
CID 39164951
5-methyl-4-oxo-N-[2-(triazol-1-yl)ethyl]-3H-thieno[2,3-d]pyrimidine-6-carboxamide
CID 121499141
N-(2-indol-1-ylethyl)-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide
CID 71706303
5-methyl-N-(4-methyl-1H-pyrazol-5-yl)-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide
CID 104620178

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[[4-(4-methylphenoxy)phenyl]methyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 5-methyl-N-[[4-(4-methylphenoxy)phenyl]methyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide (CID 46978339) is 5-methyl-N-[[4-(4-methylphenoxy)phenyl]methyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 5-methyl-N-[[4-(4-methylphenoxy)phenyl]methyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 5-methyl-N-[[4-(4-methylphenoxy)phenyl]methyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide is Cc1ccc(Oc2ccc(CNC(=O)c3sc4nc[nH]c(=O)c4c3C)cc2)cc1.
What is the InChIKey of 5-methyl-N-[[4-(4-methylphenoxy)phenyl]methyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is VZCQYLRHRVCZRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3S/c1-13-3-7-16(8-4-13)28-17-9-5-15(6-10-17)11-23-21(27)19-14(2)18-20(26)24-12-25-22(18)29-19/h3-10,12H,11H2,1-2H3,(H,23,27)(H,24,25,26).
What are the key properties of 5-methyl-N-[[4-(4-methylphenoxy)phenyl]methyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide?
5-methyl-N-[[4-(4-methylphenoxy)phenyl]methyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 405.48 g/mol, XLogP of 4.32, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[[4-(4-methylphenoxy)phenyl]methyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 46978339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).