6-[4-(2,4-dimethylphenyl)piperazine-1-carbonyl]-1,3-dimethylthieno[2,3-d]pyrimidine-2,4-dione

C21H24N4O3S — CID 53083079

IUPAC6-[4-(2,4-dimethylphenyl)piperazine-1-carbonyl]-1,3-dimethylthieno[2,3-d]pyrimidine-2,4-dione
SMILESCc1ccc(N2CCN(C(=O)c3cc4c(=O)n(C)c(=O)n(C)c4s3)CC2)c(C)c1
InChIInChI=1S/C21H24N4O3S/c1-13-5-6-16(14(2)11-13)24-7-9-25(10-8-24)19(27)17-12-15-18(26)22(3)21(28)23(4)20(15)29-17/h5-6,11-12H,7-10H2,1-4H3
InChIKeyYTSSUFBMUIARDL-UHFFFAOYSA-N
MW412.52 g/mol
LogP1.88
Rot. Bonds2

About 6-[4-(2,4-dimethylphenyl)piperazine-1-carbonyl]-1,3-dimethylthieno[2,3-d]pyrimidine-2,4-dione

6-[4-(2,4-dimethylphenyl)piperazine-1-carbonyl]-1,3-dimethylthieno[2,3-d]pyrimidine-2,4-dione (PubChem CID 53083079) has the molecular formula C21H24N4O3S and a molecular weight of 412.52 g/mol. Its IUPAC name is 6-[4-(2,4-dimethylphenyl)piperazine-1-carbonyl]-1,3-dimethylthieno[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[4-(2,4-dimethylphenyl)piperazine-1-carbonyl]-1,3-dimethylthieno[2,3-d]pyrimidine-2,4-dione
PubChem CID53083079
Molecular FormulaC21H24N4O3S
Molecular Weight412.52 g/mol
Exact Mass412.16
IUPAC Name6-[4-(2,4-dimethylphenyl)piperazine-1-carbonyl]-1,3-dimethylthieno[2,3-d]pyrimidine-2,4-dione
SMILESCc1ccc(N2CCN(C(=O)c3cc4c(=O)n(C)c(=O)n(C)c4s3)CC2)c(C)c1
InChIInChI=1S/C21H24N4O3S/c1-13-5-6-16(14(2)11-13)24-7-9-25(10-8-24)19(27)17-12-15-18(26)22(3)21(28)23(4)20(15)29-17/h5-6,11-12H,7-10H2,1-4H3
InChIKeyYTSSUFBMUIARDL-UHFFFAOYSA-N
XLogP1.88
TPSA67.55 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.52
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-[4-(2,4-dimethylphenyl)piperazine-1-carbonyl]-1,3-dimethylthieno[2,3-d]pyrimidine-2,4-dione with MolForge

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Related Compounds

6-[4-(3-chlorophenyl)piperazine-1-carbonyl]-1,3-dimethylthieno[2,3-d]pyrimidine-2,4-dione
CID 42589979
6-(3,4-dihydro-2H-quinoline-1-carbonyl)-1,3-dimethylthieno[2,3-d]pyrimidine-2,4-dione
CID 44616069
(3,4-dimethylphenyl)-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone
CID 113075364
(4-bromophenyl)-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone
CID 58484623
(2,5-dichlorophenyl)-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone
CID 71822663
(3,4-dichlorophenyl)-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone
CID 71822759
(4-bromo-3-methylphenyl)-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone
CID 58484693
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)methanone
CID 25408411
2-[4-(2,4-dimethylphenyl)piperazine-1-carbonyl]-3H-quinazolin-4-one
CID 135895971
2-amino-1-[4-(2,4-dimethylphenyl)piperazin-1-yl]ethanone
CID 4741095
(4S)-1-[4-[4-(2,4-dimethylphenyl)piperazine-1-carbonyl]phenyl]-4-hydroxypyrrolidin-2-one
CID 71252641
2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-8-methyl-5H-thieno[3,2-c]quinolin-4-one
CID 20879965

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2,4-dimethylphenyl)piperazine-1-carbonyl]-1,3-dimethylthieno[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 6-[4-(2,4-dimethylphenyl)piperazine-1-carbonyl]-1,3-dimethylthieno[2,3-d]pyrimidine-2,4-dione (CID 53083079) is 6-[4-(2,4-dimethylphenyl)piperazine-1-carbonyl]-1,3-dimethylthieno[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 6-[4-(2,4-dimethylphenyl)piperazine-1-carbonyl]-1,3-dimethylthieno[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 6-[4-(2,4-dimethylphenyl)piperazine-1-carbonyl]-1,3-dimethylthieno[2,3-d]pyrimidine-2,4-dione is Cc1ccc(N2CCN(C(=O)c3cc4c(=O)n(C)c(=O)n(C)c4s3)CC2)c(C)c1.
What is the InChIKey of 6-[4-(2,4-dimethylphenyl)piperazine-1-carbonyl]-1,3-dimethylthieno[2,3-d]pyrimidine-2,4-dione?
The InChIKey is YTSSUFBMUIARDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3S/c1-13-5-6-16(14(2)11-13)24-7-9-25(10-8-24)19(27)17-12-15-18(26)22(3)21(28)23(4)20(15)29-17/h5-6,11-12H,7-10H2,1-4H3.
What are the key properties of 6-[4-(2,4-dimethylphenyl)piperazine-1-carbonyl]-1,3-dimethylthieno[2,3-d]pyrimidine-2,4-dione?
6-[4-(2,4-dimethylphenyl)piperazine-1-carbonyl]-1,3-dimethylthieno[2,3-d]pyrimidine-2,4-dione has a molecular weight of 412.52 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2,4-dimethylphenyl)piperazine-1-carbonyl]-1,3-dimethylthieno[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 53083079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).