[4-[4-(4-methoxyphenyl)piperazin-1-yl]-5-methylthieno[2,3-d]pyrimidin-6-yl]-morpholin-4-ylmethanone

C23H27N5O3S — CID 22330648

IUPAC[4-[4-(4-methoxyphenyl)piperazin-1-yl]-5-methylthieno[2,3-d]pyrimidin-6-yl]-morpholin-4-ylmethanone
SMILESCOc1ccc(N2CCN(c3ncnc4sc(C(=O)N5CCOCC5)c(C)c34)CC2)cc1
InChIInChI=1S/C23H27N5O3S/c1-16-19-21(27-9-7-26(8-10-27)17-3-5-18(30-2)6-4-17)24-15-25-22(19)32-20(16)23(29)28-11-13-31-14-12-28/h3-6,15H,7-14H2,1-2H3
InChIKeyPOTRIKZJCHMCOC-UHFFFAOYSA-N
MW453.57 g/mol
LogP2.81
Rot. Bonds4

About [4-[4-(4-methoxyphenyl)piperazin-1-yl]-5-methylthieno[2,3-d]pyrimidin-6-yl]-morpholin-4-ylmethanone

[4-[4-(4-methoxyphenyl)piperazin-1-yl]-5-methylthieno[2,3-d]pyrimidin-6-yl]-morpholin-4-ylmethanone (PubChem CID 22330648) has the molecular formula C23H27N5O3S and a molecular weight of 453.57 g/mol. Its IUPAC name is [4-[4-(4-methoxyphenyl)piperazin-1-yl]-5-methylthieno[2,3-d]pyrimidin-6-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-[4-(4-methoxyphenyl)piperazin-1-yl]-5-methylthieno[2,3-d]pyrimidin-6-yl]-morpholin-4-ylmethanone
PubChem CID22330648
Molecular FormulaC23H27N5O3S
Molecular Weight453.57 g/mol
Exact Mass453.18
IUPAC Name[4-[4-(4-methoxyphenyl)piperazin-1-yl]-5-methylthieno[2,3-d]pyrimidin-6-yl]-morpholin-4-ylmethanone
SMILESCOc1ccc(N2CCN(c3ncnc4sc(C(=O)N5CCOCC5)c(C)c34)CC2)cc1
InChIInChI=1S/C23H27N5O3S/c1-16-19-21(27-9-7-26(8-10-27)17-3-5-18(30-2)6-4-17)24-15-25-22(19)32-20(16)23(29)28-11-13-31-14-12-28/h3-6,15H,7-14H2,1-2H3
InChIKeyPOTRIKZJCHMCOC-UHFFFAOYSA-N
XLogP2.81
TPSA71.03 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.57
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze [4-[4-(4-methoxyphenyl)piperazin-1-yl]-5-methylthieno[2,3-d]pyrimidin-6-yl]-morpholin-4-ylmethanone 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

[4-(4-fluorophenyl)piperazin-1-yl]-[4-[4-(4-methoxyphenyl)piperazin-1-yl]-5-methylthieno[2,3-d]pyrimidin-6-yl]methanone
CID 4643423
N-(2-methoxyethyl)-4-[4-(4-methoxyphenyl)piperazin-1-yl]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 3301135
[5-methyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidin-6-yl]-(4-methylpiperazin-1-yl)methanone
CID 4154221
(5-methyl-4-piperidin-1-ylthieno[2,3-d]pyrimidin-6-yl)-(4-phenylpiperazin-1-yl)methanone
CID 4093269
(5-methyl-4-piperidin-1-ylthieno[2,3-d]pyrimidin-6-yl)-pyrrolidin-1-ylmethanone
CID 31043286
4-[4-(4-methoxyphenyl)piperazin-1-yl]-5-methyl-N-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 22330642
[4-[4-(2-methoxyphenyl)piperazin-1-yl]-5-methylthieno[2,3-d]pyrimidin-6-yl]-(4-methylpiperazin-1-yl)methanone
CID 4047255
[5-methyl-4-(4-methylpiperidin-1-yl)thieno[2,3-d]pyrimidin-6-yl]-(4-methylpiperidin-1-yl)methanone
CID 5236670
[5-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]-morpholin-4-ylmethanone
CID 109184633
(5-methyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidin-6-yl)-piperazin-1-ylmethanone
CID 39162441
[5-methyl-4-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidin-6-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 46344660
(4-ethylpiperazin-1-yl)-[5-methyl-4-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidin-6-yl]methanone
CID 46344644

Frequently Asked Questions

What is the IUPAC name of [4-[4-(4-methoxyphenyl)piperazin-1-yl]-5-methylthieno[2,3-d]pyrimidin-6-yl]-morpholin-4-ylmethanone?
The IUPAC name of [4-[4-(4-methoxyphenyl)piperazin-1-yl]-5-methylthieno[2,3-d]pyrimidin-6-yl]-morpholin-4-ylmethanone (CID 22330648) is [4-[4-(4-methoxyphenyl)piperazin-1-yl]-5-methylthieno[2,3-d]pyrimidin-6-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-[4-(4-methoxyphenyl)piperazin-1-yl]-5-methylthieno[2,3-d]pyrimidin-6-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-[4-(4-methoxyphenyl)piperazin-1-yl]-5-methylthieno[2,3-d]pyrimidin-6-yl]-morpholin-4-ylmethanone is COc1ccc(N2CCN(c3ncnc4sc(C(=O)N5CCOCC5)c(C)c34)CC2)cc1.
What is the InChIKey of [4-[4-(4-methoxyphenyl)piperazin-1-yl]-5-methylthieno[2,3-d]pyrimidin-6-yl]-morpholin-4-ylmethanone?
The InChIKey is POTRIKZJCHMCOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O3S/c1-16-19-21(27-9-7-26(8-10-27)17-3-5-18(30-2)6-4-17)24-15-25-22(19)32-20(16)23(29)28-11-13-31-14-12-28/h3-6,15H,7-14H2,1-2H3.
What are the key properties of [4-[4-(4-methoxyphenyl)piperazin-1-yl]-5-methylthieno[2,3-d]pyrimidin-6-yl]-morpholin-4-ylmethanone?
[4-[4-(4-methoxyphenyl)piperazin-1-yl]-5-methylthieno[2,3-d]pyrimidin-6-yl]-morpholin-4-ylmethanone has a molecular weight of 453.57 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(4-methoxyphenyl)piperazin-1-yl]-5-methylthieno[2,3-d]pyrimidin-6-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 22330648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).