6-amino-1,3-dimethyl-5-[2-(5-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetyl]pyrimidine-2,4-dione

C21H19N5O4S — CID 24584961

IUPAC6-amino-1,3-dimethyl-5-[2-(5-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetyl]pyrimidine-2,4-dione
SMILESCc1c(-c2ccccc2)sc2ncn(CC(=O)c3c(N)n(C)c(=O)n(C)c3=O)c(=O)c12
InChIInChI=1S/C21H19N5O4S/c1-11-14-18(31-16(11)12-7-5-4-6-8-12)23-10-26(20(14)29)9-13(27)15-17(22)24(2)21(30)25(3)19(15)28/h4-8,10H,9,22H2,1-3H3
InChIKeyYBWYDABXWYCFMX-UHFFFAOYSA-N
MW437.48 g/mol
LogP1.30
Rot. Bonds4

About 6-amino-1,3-dimethyl-5-[2-(5-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetyl]pyrimidine-2,4-dione

6-amino-1,3-dimethyl-5-[2-(5-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetyl]pyrimidine-2,4-dione (PubChem CID 24584961) has the molecular formula C21H19N5O4S and a molecular weight of 437.48 g/mol. Its IUPAC name is 6-amino-1,3-dimethyl-5-[2-(5-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1,3-dimethyl-5-[2-(5-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetyl]pyrimidine-2,4-dione
PubChem CID24584961
Molecular FormulaC21H19N5O4S
Molecular Weight437.48 g/mol
Exact Mass437.12
IUPAC Name6-amino-1,3-dimethyl-5-[2-(5-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetyl]pyrimidine-2,4-dione
SMILESCc1c(-c2ccccc2)sc2ncn(CC(=O)c3c(N)n(C)c(=O)n(C)c3=O)c(=O)c12
InChIInChI=1S/C21H19N5O4S/c1-11-14-18(31-16(11)12-7-5-4-6-8-12)23-10-26(20(14)29)9-13(27)15-17(22)24(2)21(30)25(3)19(15)28/h4-8,10H,9,22H2,1-3H3
InChIKeyYBWYDABXWYCFMX-UHFFFAOYSA-N
XLogP1.30
TPSA121.98 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.48
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

6-amino-1,3-dimethyl-5-[2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetyl]pyrimidine-2,4-dione
CID 24564828
5-methyl-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]-6-phenylthieno[2,3-d]pyrimidin-4-one
CID 32925031
6-amino-1,3-dimethyl-5-[2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetyl]pyrimidine-2,4-dione
CID 24584592
N-[4-[2-(5-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetyl]phenyl]acetamide
CID 55380138
N-(2,5-dimethylpyrazol-3-yl)-2-(5-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 51288176
5-methyl-3-(2-oxo-2-piperidin-1-ylethyl)-6-phenylthieno[2,3-d]pyrimidin-4-one
CID 7889105
N-(4-bromophenyl)-2-(5-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 27540162
2-(5-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)-N-(2-methylsulfonylphenyl)acetamide
CID 24500038
N,N-bis(2-methoxyethyl)-2-(5-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 7518844
N-(butylcarbamoyl)-2-(5-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 24500039
N-(furan-2-ylmethyl)-2-(5-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 7518792
N-(2-cyano-3-methylbutan-2-yl)-2-(5-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 51196300

Frequently Asked Questions

What is the IUPAC name of 6-amino-1,3-dimethyl-5-[2-(5-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetyl]pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1,3-dimethyl-5-[2-(5-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetyl]pyrimidine-2,4-dione (CID 24584961) is 6-amino-1,3-dimethyl-5-[2-(5-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetyl]pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1,3-dimethyl-5-[2-(5-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetyl]pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1,3-dimethyl-5-[2-(5-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetyl]pyrimidine-2,4-dione is Cc1c(-c2ccccc2)sc2ncn(CC(=O)c3c(N)n(C)c(=O)n(C)c3=O)c(=O)c12.
What is the InChIKey of 6-amino-1,3-dimethyl-5-[2-(5-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetyl]pyrimidine-2,4-dione?
The InChIKey is YBWYDABXWYCFMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O4S/c1-11-14-18(31-16(11)12-7-5-4-6-8-12)23-10-26(20(14)29)9-13(27)15-17(22)24(2)21(30)25(3)19(15)28/h4-8,10H,9,22H2,1-3H3.
What are the key properties of 6-amino-1,3-dimethyl-5-[2-(5-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetyl]pyrimidine-2,4-dione?
6-amino-1,3-dimethyl-5-[2-(5-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetyl]pyrimidine-2,4-dione has a molecular weight of 437.48 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1,3-dimethyl-5-[2-(5-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetyl]pyrimidine-2,4-dione is sourced from PubChem (CID 24584961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).