2-[[(2-hydroxy-3-propan-2-yloxypropyl)-(2-morpholin-4-ylethyl)amino]methyl]-5-(3-methoxyphenyl)-3H-thieno[2,3-d]pyrimidin-4-one

C26H36N4O5S — CID 46018238

IUPAC2-[[(2-hydroxy-3-propan-2-yloxypropyl)-(2-morpholin-4-ylethyl)amino]methyl]-5-(3-methoxyphenyl)-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCOc1cccc(-c2csc3nc(CN(CCN4CCOCC4)CC(O)COC(C)C)[nH]c(=O)c23)c1
InChIInChI=1S/C26H36N4O5S/c1-18(2)35-16-20(31)14-30(8-7-29-9-11-34-12-10-29)15-23-27-25(32)24-22(17-36-26(24)28-23)19-5-4-6-21(13-19)33-3/h4-6,13,17-18,20,31H,7-12,14-16H2,1-3H3,(H,27,28,32)
InChIKeyTWZUTNDMYPUTFX-UHFFFAOYSA-N
MW516.66 g/mol
LogP2.58
Rot. Bonds12

About 2-[[(2-hydroxy-3-propan-2-yloxypropyl)-(2-morpholin-4-ylethyl)amino]methyl]-5-(3-methoxyphenyl)-3H-thieno[2,3-d]pyrimidin-4-one

2-[[(2-hydroxy-3-propan-2-yloxypropyl)-(2-morpholin-4-ylethyl)amino]methyl]-5-(3-methoxyphenyl)-3H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 46018238) has the molecular formula C26H36N4O5S and a molecular weight of 516.66 g/mol. Its IUPAC name is 2-[[(2-hydroxy-3-propan-2-yloxypropyl)-(2-morpholin-4-ylethyl)amino]methyl]-5-(3-methoxyphenyl)-3H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[(2-hydroxy-3-propan-2-yloxypropyl)-(2-morpholin-4-ylethyl)amino]methyl]-5-(3-methoxyphenyl)-3H-thieno[2,3-d]pyrimidin-4-one
PubChem CID46018238
Molecular FormulaC26H36N4O5S
Molecular Weight516.66 g/mol
Exact Mass516.24
IUPAC Name2-[[(2-hydroxy-3-propan-2-yloxypropyl)-(2-morpholin-4-ylethyl)amino]methyl]-5-(3-methoxyphenyl)-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCOc1cccc(-c2csc3nc(CN(CCN4CCOCC4)CC(O)COC(C)C)[nH]c(=O)c23)c1
InChIInChI=1S/C26H36N4O5S/c1-18(2)35-16-20(31)14-30(8-7-29-9-11-34-12-10-29)15-23-27-25(32)24-22(17-36-26(24)28-23)19-5-4-6-21(13-19)33-3/h4-6,13,17-18,20,31H,7-12,14-16H2,1-3H3,(H,27,28,32)
InChIKeyTWZUTNDMYPUTFX-UHFFFAOYSA-N
XLogP2.58
TPSA100.15 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.66
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-[[(2-hydroxy-3-propan-2-yloxypropyl)-(2-morpholin-4-ylethyl)amino]methyl]-5-(3-methoxyphenyl)-3H-thieno[2,3-d]pyrimidin-4-one 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

2-[[(2-hydroxy-3-methoxypropyl)-(2-methylpropyl)amino]methyl]-5-(3-methoxyphenyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 42840081
2-[[cyclopropyl-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]amino]methyl]-5-(3-methoxyphenyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 42839645
2-[[(2-hydroxy-3-prop-2-ynoxypropyl)-propan-2-ylamino]methyl]-5-(3-methoxyphenyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 42840091
2-[[[(2S)-2-hydroxy-3-propan-2-yloxypropyl]-(3-methylbutyl)amino]methyl]-5-(2-methoxyphenyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 93195385
5-(3,4-dimethylphenyl)-2-[[(2-hydroxy-3-propan-2-yloxypropyl)-(2-methylpropyl)amino]methyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 42839466
2-[[cyclohexyl(2-hydroxypropyl)amino]methyl]-5-(3-methoxyphenyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 42840096
5-(3-chlorophenyl)-2-[[cyclopropyl-(2-hydroxy-3-propan-2-yloxypropyl)amino]methyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 42839675
5-(3,4-dimethoxyphenyl)-2-[[(2-hydroxy-3-morpholin-4-ylpropyl)-methylamino]methyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 46018797
5-(2,4-dimethylphenyl)-2-[[(2-hydroxy-3-propan-2-yloxypropyl)-propylamino]methyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 42839701
2-[[[(2R)-2-hydroxy-3-propan-2-yloxypropyl]-(2-methylpropyl)amino]methyl]-5-(2-methoxyphenyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 93195356
2-[[cyclopropyl-(2-hydroxy-3-phenylpropyl)amino]methyl]-5-(3-methoxyphenyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 42839643
5-(2,4-dimethylphenyl)-2-[[[(2R)-2-hydroxy-3-propan-2-yloxypropyl]-(3-methoxypropyl)amino]methyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 93195290

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-hydroxy-3-propan-2-yloxypropyl)-(2-morpholin-4-ylethyl)amino]methyl]-5-(3-methoxyphenyl)-3H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-[[(2-hydroxy-3-propan-2-yloxypropyl)-(2-morpholin-4-ylethyl)amino]methyl]-5-(3-methoxyphenyl)-3H-thieno[2,3-d]pyrimidin-4-one (CID 46018238) is 2-[[(2-hydroxy-3-propan-2-yloxypropyl)-(2-morpholin-4-ylethyl)amino]methyl]-5-(3-methoxyphenyl)-3H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-[[(2-hydroxy-3-propan-2-yloxypropyl)-(2-morpholin-4-ylethyl)amino]methyl]-5-(3-methoxyphenyl)-3H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-[[(2-hydroxy-3-propan-2-yloxypropyl)-(2-morpholin-4-ylethyl)amino]methyl]-5-(3-methoxyphenyl)-3H-thieno[2,3-d]pyrimidin-4-one is COc1cccc(-c2csc3nc(CN(CCN4CCOCC4)CC(O)COC(C)C)[nH]c(=O)c23)c1.
What is the InChIKey of 2-[[(2-hydroxy-3-propan-2-yloxypropyl)-(2-morpholin-4-ylethyl)amino]methyl]-5-(3-methoxyphenyl)-3H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is TWZUTNDMYPUTFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N4O5S/c1-18(2)35-16-20(31)14-30(8-7-29-9-11-34-12-10-29)15-23-27-25(32)24-22(17-36-26(24)28-23)19-5-4-6-21(13-19)33-3/h4-6,13,17-18,20,31H,7-12,14-16H2,1-3H3,(H,27,28,32).
What are the key properties of 2-[[(2-hydroxy-3-propan-2-yloxypropyl)-(2-morpholin-4-ylethyl)amino]methyl]-5-(3-methoxyphenyl)-3H-thieno[2,3-d]pyrimidin-4-one?
2-[[(2-hydroxy-3-propan-2-yloxypropyl)-(2-morpholin-4-ylethyl)amino]methyl]-5-(3-methoxyphenyl)-3H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 516.66 g/mol, XLogP of 2.58, 12 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-hydroxy-3-propan-2-yloxypropyl)-(2-morpholin-4-ylethyl)amino]methyl]-5-(3-methoxyphenyl)-3H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 46018238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).