1-[4-[4-[5-(3,4-dimethoxyphenyl)-2-methylthieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]phenyl]ethanone

C27H28N4O3S — CID 4882649

IUPAC1-[4-[4-[5-(3,4-dimethoxyphenyl)-2-methylthieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]phenyl]ethanone
SMILESCOc1ccc(-c2csc3nc(C)nc(N4CCN(c5ccc(C(C)=O)cc5)CC4)c23)cc1OC
InChIInChI=1S/C27H28N4O3S/c1-17(32)19-5-8-21(9-6-19)30-11-13-31(14-12-30)26-25-22(16-35-27(25)29-18(2)28-26)20-7-10-23(33-3)24(15-20)34-4/h5-10,15-16H,11-14H2,1-4H3
InChIKeyFRCWICPABOBUAH-UHFFFAOYSA-N
MW488.61 g/mol
LogP5.21
Rot. Bonds6

About 1-[4-[4-[5-(3,4-dimethoxyphenyl)-2-methylthieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]phenyl]ethanone

1-[4-[4-[5-(3,4-dimethoxyphenyl)-2-methylthieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]phenyl]ethanone (PubChem CID 4882649) has the molecular formula C27H28N4O3S and a molecular weight of 488.61 g/mol. Its IUPAC name is 1-[4-[4-[5-(3,4-dimethoxyphenyl)-2-methylthieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[4-[5-(3,4-dimethoxyphenyl)-2-methylthieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]phenyl]ethanone
PubChem CID4882649
Molecular FormulaC27H28N4O3S
Molecular Weight488.61 g/mol
Exact Mass488.19
IUPAC Name1-[4-[4-[5-(3,4-dimethoxyphenyl)-2-methylthieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]phenyl]ethanone
SMILESCOc1ccc(-c2csc3nc(C)nc(N4CCN(c5ccc(C(C)=O)cc5)CC4)c23)cc1OC
InChIInChI=1S/C27H28N4O3S/c1-17(32)19-5-8-21(9-6-19)30-11-13-31(14-12-30)26-25-22(16-35-27(25)29-18(2)28-26)20-7-10-23(33-3)24(15-20)34-4/h5-10,15-16H,11-14H2,1-4H3
InChIKeyFRCWICPABOBUAH-UHFFFAOYSA-N
XLogP5.21
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.61
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-[4-[4-[5-(3,4-dimethoxyphenyl)-2-methylthieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]phenyl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(3,4-dimethoxyphenyl)-2-methyl-4-(4-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine
CID 2460969
(3S)-1-[5-(3,4-dimethoxyphenyl)-2-methylthieno[2,3-d]pyrimidin-4-yl]-N-pyridin-2-ylpiperidine-3-carboxamide
CID 51961127
1-[4-[[5-(3,4-dimethoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]phenyl]ethanone
CID 21009523
1-[4-[4-(4,7-dimethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]phenyl]ethanone
CID 121081720
2-[4-[5-(4-ethylphenyl)-2-methylthieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanol
CID 28848470
2-[4-(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 9207878
5-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-one
CID 1082773
(4-acetylphenyl) 2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetate
CID 8764004
3-[(5-acetyl-2-methoxyphenyl)methyl]-5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-one
CID 7595330
1-[4-chloro-3-(3,4-dimethoxyphenyl)phenyl]ethanone
CID 82540809
2-(3,4-dimethoxyphenyl)-4-pyrrolidin-1-ylpyrimidine-5-carboxylic acid
CID 53214897
4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-5-(3,4-dimethoxyphenyl)-2-methylthieno[2,3-d]pyrimidine
CID 2503896

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[5-(3,4-dimethoxyphenyl)-2-methylthieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]phenyl]ethanone?
The IUPAC name of 1-[4-[4-[5-(3,4-dimethoxyphenyl)-2-methylthieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]phenyl]ethanone (CID 4882649) is 1-[4-[4-[5-(3,4-dimethoxyphenyl)-2-methylthieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[4-[5-(3,4-dimethoxyphenyl)-2-methylthieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]phenyl]ethanone?
The canonical SMILES for 1-[4-[4-[5-(3,4-dimethoxyphenyl)-2-methylthieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]phenyl]ethanone is COc1ccc(-c2csc3nc(C)nc(N4CCN(c5ccc(C(C)=O)cc5)CC4)c23)cc1OC.
What is the InChIKey of 1-[4-[4-[5-(3,4-dimethoxyphenyl)-2-methylthieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]phenyl]ethanone?
The InChIKey is FRCWICPABOBUAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O3S/c1-17(32)19-5-8-21(9-6-19)30-11-13-31(14-12-30)26-25-22(16-35-27(25)29-18(2)28-26)20-7-10-23(33-3)24(15-20)34-4/h5-10,15-16H,11-14H2,1-4H3.
What are the key properties of 1-[4-[4-[5-(3,4-dimethoxyphenyl)-2-methylthieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]phenyl]ethanone?
1-[4-[4-[5-(3,4-dimethoxyphenyl)-2-methylthieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]phenyl]ethanone has a molecular weight of 488.61 g/mol, XLogP of 5.21, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[5-(3,4-dimethoxyphenyl)-2-methylthieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]phenyl]ethanone is sourced from PubChem (CID 4882649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).