N,N-diethyl-2-[5-methyl-4-oxo-6-(4-phenylpiperazine-1-carbonyl)thieno[2,3-d]pyrimidin-3-yl]acetamide

C24H29N5O3S — CID 22330668

IUPACN,N-diethyl-2-[5-methyl-4-oxo-6-(4-phenylpiperazine-1-carbonyl)thieno[2,3-d]pyrimidin-3-yl]acetamide
SMILESCCN(CC)C(=O)Cn1cnc2sc(C(=O)N3CCN(c4ccccc4)CC3)c(C)c2c1=O
InChIInChI=1S/C24H29N5O3S/c1-4-26(5-2)19(30)15-29-16-25-22-20(23(29)31)17(3)21(33-22)24(32)28-13-11-27(12-14-28)18-9-7-6-8-10-18/h6-10,16H,4-5,11-15H2,1-3H3
InChIKeyBKDUKIBVLIHVTM-UHFFFAOYSA-N
MW467.60 g/mol
LogP2.60
Rot. Bonds6

About N,N-diethyl-2-[5-methyl-4-oxo-6-(4-phenylpiperazine-1-carbonyl)thieno[2,3-d]pyrimidin-3-yl]acetamide

N,N-diethyl-2-[5-methyl-4-oxo-6-(4-phenylpiperazine-1-carbonyl)thieno[2,3-d]pyrimidin-3-yl]acetamide (PubChem CID 22330668) has the molecular formula C24H29N5O3S and a molecular weight of 467.60 g/mol. Its IUPAC name is N,N-diethyl-2-[5-methyl-4-oxo-6-(4-phenylpiperazine-1-carbonyl)thieno[2,3-d]pyrimidin-3-yl]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[5-methyl-4-oxo-6-(4-phenylpiperazine-1-carbonyl)thieno[2,3-d]pyrimidin-3-yl]acetamide
PubChem CID22330668
Molecular FormulaC24H29N5O3S
Molecular Weight467.60 g/mol
Exact Mass467.20
IUPAC NameN,N-diethyl-2-[5-methyl-4-oxo-6-(4-phenylpiperazine-1-carbonyl)thieno[2,3-d]pyrimidin-3-yl]acetamide
SMILESCCN(CC)C(=O)Cn1cnc2sc(C(=O)N3CCN(c4ccccc4)CC3)c(C)c2c1=O
InChIInChI=1S/C24H29N5O3S/c1-4-26(5-2)19(30)15-29-16-25-22-20(23(29)31)17(3)21(33-22)24(32)28-13-11-27(12-14-28)18-9-7-6-8-10-18/h6-10,16H,4-5,11-15H2,1-3H3
InChIKeyBKDUKIBVLIHVTM-UHFFFAOYSA-N
XLogP2.60
TPSA78.75 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.60
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-(2-ethoxyethyl)-5-methyl-6-(4-phenylpiperazine-1-carbonyl)thieno[2,3-d]pyrimidin-4-one
CID 4065775
N-(2-methoxyphenyl)-2-[5-methyl-4-oxo-6-(4-phenylpiperazine-1-carbonyl)thieno[2,3-d]pyrimidin-3-yl]acetamide
CID 5072120
2-[6-[4-(4-chlorophenyl)piperazine-1-carbonyl]-5-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-cyclohexylacetamide;N-cyclohexyl-2-[5-methyl-4-oxo-6-(4-phenylpiperazine-1-carbonyl)thieno[2,3-d]pyrimidin-3-yl]acetamide
CID 162215720
2-[6-[4-(2-fluorophenyl)piperazine-1-carbonyl]-5-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-phenylacetamide
CID 25113776
N-cyclopentyl-2-[5-methyl-4-oxo-6-(4-phenylpiperazine-1-carbonyl)thieno[2,3-d]pyrimidin-3-yl]propanamide
CID 25117403
5-methyl-6-(4-phenylpiperazine-1-carbonyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 4991094
6-[4-(3-chlorophenyl)piperazine-1-carbonyl]-3-[2-[(3S)-3-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-methylthieno[2,3-d]pyrimidin-4-one
CID 25114882
[4-(diethylamino)-2,5-dimethylthieno[2,3-d]pyrimidin-6-yl]-(4-phenylpiperazin-1-yl)methanone
CID 3494830
3-[2-(diethylamino)-2-oxoethyl]-5-methyl-4-oxo-N-(4-phenoxyphenyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 6617397
1-(3-benzyl-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carbonyl)piperidine-4-carboxylic acid
CID 110498083
ethyl 4-(5-methyl-4-oxo-3-propylthieno[2,3-d]pyrimidine-6-carbonyl)piperazine-1-carboxylate
CID 6618555
5-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-6-(4-pyridin-2-ylpiperazine-1-carbonyl)thieno[2,3-d]pyrimidin-4-one
CID 3329389

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[5-methyl-4-oxo-6-(4-phenylpiperazine-1-carbonyl)thieno[2,3-d]pyrimidin-3-yl]acetamide?
The IUPAC name of N,N-diethyl-2-[5-methyl-4-oxo-6-(4-phenylpiperazine-1-carbonyl)thieno[2,3-d]pyrimidin-3-yl]acetamide (CID 22330668) is N,N-diethyl-2-[5-methyl-4-oxo-6-(4-phenylpiperazine-1-carbonyl)thieno[2,3-d]pyrimidin-3-yl]acetamide.
What is the SMILES notation for N,N-diethyl-2-[5-methyl-4-oxo-6-(4-phenylpiperazine-1-carbonyl)thieno[2,3-d]pyrimidin-3-yl]acetamide?
The canonical SMILES for N,N-diethyl-2-[5-methyl-4-oxo-6-(4-phenylpiperazine-1-carbonyl)thieno[2,3-d]pyrimidin-3-yl]acetamide is CCN(CC)C(=O)Cn1cnc2sc(C(=O)N3CCN(c4ccccc4)CC3)c(C)c2c1=O.
What is the InChIKey of N,N-diethyl-2-[5-methyl-4-oxo-6-(4-phenylpiperazine-1-carbonyl)thieno[2,3-d]pyrimidin-3-yl]acetamide?
The InChIKey is BKDUKIBVLIHVTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O3S/c1-4-26(5-2)19(30)15-29-16-25-22-20(23(29)31)17(3)21(33-22)24(32)28-13-11-27(12-14-28)18-9-7-6-8-10-18/h6-10,16H,4-5,11-15H2,1-3H3.
What are the key properties of N,N-diethyl-2-[5-methyl-4-oxo-6-(4-phenylpiperazine-1-carbonyl)thieno[2,3-d]pyrimidin-3-yl]acetamide?
N,N-diethyl-2-[5-methyl-4-oxo-6-(4-phenylpiperazine-1-carbonyl)thieno[2,3-d]pyrimidin-3-yl]acetamide has a molecular weight of 467.60 g/mol, XLogP of 2.60, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[5-methyl-4-oxo-6-(4-phenylpiperazine-1-carbonyl)thieno[2,3-d]pyrimidin-3-yl]acetamide is sourced from PubChem (CID 22330668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).