3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1-methyl-6-phenylthieno[2,3-d]pyrimidine-2,4-dione

C26H28N4O3S — CID 101108349

IUPAC3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1-methyl-6-phenylthieno[2,3-d]pyrimidine-2,4-dione
SMILESCOc1ccccc1N1CCN(CCn2c(=O)c3cc(-c4ccccc4)sc3n(C)c2=O)CC1
InChIInChI=1S/C26H28N4O3S/c1-27-25-20(18-23(34-25)19-8-4-3-5-9-19)24(31)30(26(27)32)17-14-28-12-15-29(16-13-28)21-10-6-7-11-22(21)33-2/h3-11,18H,12-17H2,1-2H3
InChIKeyPETUFURSQNPWOM-UHFFFAOYSA-N
MW476.60 g/mol
LogP3.26
Rot. Bonds6

About 3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1-methyl-6-phenylthieno[2,3-d]pyrimidine-2,4-dione

3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1-methyl-6-phenylthieno[2,3-d]pyrimidine-2,4-dione (PubChem CID 101108349) has the molecular formula C26H28N4O3S and a molecular weight of 476.60 g/mol. Its IUPAC name is 3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1-methyl-6-phenylthieno[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1-methyl-6-phenylthieno[2,3-d]pyrimidine-2,4-dione
PubChem CID101108349
Molecular FormulaC26H28N4O3S
Molecular Weight476.60 g/mol
Exact Mass476.19
IUPAC Name3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1-methyl-6-phenylthieno[2,3-d]pyrimidine-2,4-dione
SMILESCOc1ccccc1N1CCN(CCn2c(=O)c3cc(-c4ccccc4)sc3n(C)c2=O)CC1
InChIInChI=1S/C26H28N4O3S/c1-27-25-20(18-23(34-25)19-8-4-3-5-9-19)24(31)30(26(27)32)17-14-28-12-15-29(16-13-28)21-10-6-7-11-22(21)33-2/h3-11,18H,12-17H2,1-2H3
InChIKeyPETUFURSQNPWOM-UHFFFAOYSA-N
XLogP3.26
TPSA59.71 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.60
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-phenylquinazolin-4-one
CID 11761983
1-(2-hydroxyethyl)-3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]quinazoline-2,4-dione
CID 13387788
1-(5-hydroxypentyl)-3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]quinazoline-2,4-dione
CID 13387790
1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4-phenylpyridin-2-one
CID 98040637
6-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione
CID 44513277
1-(2-methoxyphenyl)-4-[2-(triazol-2-yl)ethyl]piperazine
CID 155941923
ethyl 6-[3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2,4-dioxoquinazolin-1-yl]hexanoate
CID 13387770
1-[2-(benzenesulfonyl)ethyl]-4-(2-methoxyphenyl)piperazine
CID 31338508
8-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane
CID 91175369
3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 10849160
1-benzyl-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-5,6-dimethylpyrimidine-2,4-dione
CID 67596550
(11E)-11-methoxyimino-6-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-3-methyl-2-thia-6,8-diazatricyclo[6.3.1.04,12]dodeca-1(12),3-diene-5,7-dione
CID 15697725

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1-methyl-6-phenylthieno[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1-methyl-6-phenylthieno[2,3-d]pyrimidine-2,4-dione (CID 101108349) is 3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1-methyl-6-phenylthieno[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1-methyl-6-phenylthieno[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1-methyl-6-phenylthieno[2,3-d]pyrimidine-2,4-dione is COc1ccccc1N1CCN(CCn2c(=O)c3cc(-c4ccccc4)sc3n(C)c2=O)CC1.
What is the InChIKey of 3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1-methyl-6-phenylthieno[2,3-d]pyrimidine-2,4-dione?
The InChIKey is PETUFURSQNPWOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O3S/c1-27-25-20(18-23(34-25)19-8-4-3-5-9-19)24(31)30(26(27)32)17-14-28-12-15-29(16-13-28)21-10-6-7-11-22(21)33-2/h3-11,18H,12-17H2,1-2H3.
What are the key properties of 3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1-methyl-6-phenylthieno[2,3-d]pyrimidine-2,4-dione?
3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1-methyl-6-phenylthieno[2,3-d]pyrimidine-2,4-dione has a molecular weight of 476.60 g/mol, XLogP of 3.26, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1-methyl-6-phenylthieno[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 101108349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).