3-benzyl-1-methyl-N-(2-morpholin-4-ylethyl)-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxamide

C21H24N4O4S — CID 91051978

IUPAC3-benzyl-1-methyl-N-(2-morpholin-4-ylethyl)-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxamide
SMILESCn1c(=O)n(Cc2ccccc2)c(=O)c2cc(C(=O)NCCN3CCOCC3)sc21
InChIInChI=1S/C21H24N4O4S/c1-23-20-16(19(27)25(21(23)28)14-15-5-3-2-4-6-15)13-17(30-20)18(26)22-7-8-24-9-11-29-12-10-24/h2-6,13H,7-12,14H2,1H3,(H,22,26)
InChIKeyBZDYYYQZTJPQOA-UHFFFAOYSA-N
MW428.51 g/mol
LogP0.87
Rot. Bonds6

About 3-benzyl-1-methyl-N-(2-morpholin-4-ylethyl)-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxamide

3-benzyl-1-methyl-N-(2-morpholin-4-ylethyl)-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 91051978) has the molecular formula C21H24N4O4S and a molecular weight of 428.51 g/mol. Its IUPAC name is 3-benzyl-1-methyl-N-(2-morpholin-4-ylethyl)-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name3-benzyl-1-methyl-N-(2-morpholin-4-ylethyl)-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID91051978
Molecular FormulaC21H24N4O4S
Molecular Weight428.51 g/mol
Exact Mass428.15
IUPAC Name3-benzyl-1-methyl-N-(2-morpholin-4-ylethyl)-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxamide
SMILESCn1c(=O)n(Cc2ccccc2)c(=O)c2cc(C(=O)NCCN3CCOCC3)sc21
InChIInChI=1S/C21H24N4O4S/c1-23-20-16(19(27)25(21(23)28)14-15-5-3-2-4-6-15)13-17(30-20)18(26)22-7-8-24-9-11-29-12-10-24/h2-6,13H,7-12,14H2,1H3,(H,22,26)
InChIKeyBZDYYYQZTJPQOA-UHFFFAOYSA-N
XLogP0.87
TPSA85.57 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.51
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-benzyl-1-methyl-N-[(5-methylfuran-2-yl)methyl]-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxamide
CID 90933176
N-(2-morpholin-4-ylethyl)-5-phenylthiophene-2-carboxamide
CID 117082907
4-[(3-chlorophenyl)methyl]-2-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)-3,5-dioxo-1,2,4-triazine-6-carboxamide
CID 42835918
3-benzyl-5-methyl-N-(2-morpholin-4-ylethyl)-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 110496515
3-benzyl-N-(2-morpholin-4-ylethyl)-2-phenylbenzimidazole-5-carboxamide
CID 141496217
2-(3,5-dimethylphenyl)-4-[(4-methylphenyl)methyl]-N-(2-morpholin-4-ylethyl)-3,5-dioxo-1,2,4-triazine-6-carboxamide
CID 42836502
1-[(4-fluorophenyl)methyl]-3-methyl-N-(3-morpholin-4-ylpropyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 17463930
4-N-benzyl-4-N-methyl-1-N-(2-morpholin-4-ylethyl)benzene-1,4-dicarboxamide
CID 109045869
4-[[6-[[(2E,4E,6Z)-5-methoxyocta-2,4,6-trienyl]carbamoyl]-1-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]methyl]benzoic acid
CID 142161539
1-benzyl-5-chloro-N-(2-morpholin-4-ylethyl)triazole-4-carboxamide
CID 91938567
4-[(4-fluorophenyl)methyl]-2-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)-3,5-dioxo-1,2,4-triazine-6-carboxamide
CID 46149799
N-(2-morpholin-4-ylethyl)-4-trimethylstannylthiophene-2-carboxamide
CID 23063748

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1-methyl-N-(2-morpholin-4-ylethyl)-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 3-benzyl-1-methyl-N-(2-morpholin-4-ylethyl)-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxamide (CID 91051978) is 3-benzyl-1-methyl-N-(2-morpholin-4-ylethyl)-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 3-benzyl-1-methyl-N-(2-morpholin-4-ylethyl)-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 3-benzyl-1-methyl-N-(2-morpholin-4-ylethyl)-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxamide is Cn1c(=O)n(Cc2ccccc2)c(=O)c2cc(C(=O)NCCN3CCOCC3)sc21.
What is the InChIKey of 3-benzyl-1-methyl-N-(2-morpholin-4-ylethyl)-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is BZDYYYQZTJPQOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O4S/c1-23-20-16(19(27)25(21(23)28)14-15-5-3-2-4-6-15)13-17(30-20)18(26)22-7-8-24-9-11-29-12-10-24/h2-6,13H,7-12,14H2,1H3,(H,22,26).
What are the key properties of 3-benzyl-1-methyl-N-(2-morpholin-4-ylethyl)-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxamide?
3-benzyl-1-methyl-N-(2-morpholin-4-ylethyl)-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 428.51 g/mol, XLogP of 0.87, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1-methyl-N-(2-morpholin-4-ylethyl)-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 91051978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).