6-(4-methoxyphenyl)-2-[(2-methylpiperidin-1-yl)methyl]-3H-thieno[3,2-d]pyrimidin-4-one

C20H23N3O2S — CID 135971015

IUPAC6-(4-methoxyphenyl)-2-[(2-methylpiperidin-1-yl)methyl]-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCOc1ccc(-c2cc3nc(CN4CCCCC4C)[nH]c(=O)c3s2)cc1
InChIInChI=1S/C20H23N3O2S/c1-13-5-3-4-10-23(13)12-18-21-16-11-17(26-19(16)20(24)22-18)14-6-8-15(25-2)9-7-14/h6-9,11,13H,3-5,10,12H2,1-2H3,(H,21,22,24)
InChIKeyNIBIQBMMNFMKAU-UHFFFAOYSA-N
MW369.49 g/mol
LogP4.03
Rot. Bonds4

About 6-(4-methoxyphenyl)-2-[(2-methylpiperidin-1-yl)methyl]-3H-thieno[3,2-d]pyrimidin-4-one

6-(4-methoxyphenyl)-2-[(2-methylpiperidin-1-yl)methyl]-3H-thieno[3,2-d]pyrimidin-4-one (PubChem CID 135971015) has the molecular formula C20H23N3O2S and a molecular weight of 369.49 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-2-[(2-methylpiperidin-1-yl)methyl]-3H-thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-2-[(2-methylpiperidin-1-yl)methyl]-3H-thieno[3,2-d]pyrimidin-4-one
PubChem CID135971015
Molecular FormulaC20H23N3O2S
Molecular Weight369.49 g/mol
Exact Mass369.15
IUPAC Name6-(4-methoxyphenyl)-2-[(2-methylpiperidin-1-yl)methyl]-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCOc1ccc(-c2cc3nc(CN4CCCCC4C)[nH]c(=O)c3s2)cc1
InChIInChI=1S/C20H23N3O2S/c1-13-5-3-4-10-23(13)12-18-21-16-11-17(26-19(16)20(24)22-18)14-6-8-15(25-2)9-7-14/h6-9,11,13H,3-5,10,12H2,1-2H3,(H,21,22,24)
InChIKeyNIBIQBMMNFMKAU-UHFFFAOYSA-N
XLogP4.03
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-(4-methoxyphenyl)-2-[(2-methylpiperidin-1-yl)methyl]-3H-thieno[3,2-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-[(4-benzylpiperazin-1-yl)methyl]-6-(4-methoxyphenyl)-3H-thieno[3,2-d]pyrimidin-4-one
CID 135971013
2-(2,3-dihydroindol-1-ylmethyl)-6-(4-methoxyphenyl)-3H-thieno[3,2-d]pyrimidin-4-one
CID 135879234
2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-6-(4-methoxyphenyl)-3H-thieno[3,2-d]pyrimidin-4-one
CID 137309109
2-[[2-(4-methoxyphenyl)azepan-1-yl]methyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 135670638
2-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]-6-(5-methyl-1H-pyrazol-4-yl)-3H-thieno[3,2-d]pyrimidin-4-one
CID 138527138
5-(4-methylphenyl)-2-[[(2S)-2-methylpiperidin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 2486921
6-(4-chlorophenyl)-2-[[2-(4-methoxyphenoxy)ethyl-methylamino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 135591375
5,6-dimethyl-2-[[(2S)-2-methylpiperidin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 2368549
2-ethyl-6-[(2-methylpiperidin-1-yl)methyl]-3H-quinazolin-4-one
CID 135980503
5-(4-chlorophenyl)-2-[[(2R)-2-methylpiperidin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 2697878
2-[[6-(4-methoxyphenyl)-4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl]methyl-methylamino]-N-propylacetamide
CID 135971039
6-acetyl-5-methyl-2-[(2-methylpiperidin-1-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 24714818

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-2-[(2-methylpiperidin-1-yl)methyl]-3H-thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 6-(4-methoxyphenyl)-2-[(2-methylpiperidin-1-yl)methyl]-3H-thieno[3,2-d]pyrimidin-4-one (CID 135971015) is 6-(4-methoxyphenyl)-2-[(2-methylpiperidin-1-yl)methyl]-3H-thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 6-(4-methoxyphenyl)-2-[(2-methylpiperidin-1-yl)methyl]-3H-thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 6-(4-methoxyphenyl)-2-[(2-methylpiperidin-1-yl)methyl]-3H-thieno[3,2-d]pyrimidin-4-one is COc1ccc(-c2cc3nc(CN4CCCCC4C)[nH]c(=O)c3s2)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-2-[(2-methylpiperidin-1-yl)methyl]-3H-thieno[3,2-d]pyrimidin-4-one?
The InChIKey is NIBIQBMMNFMKAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2S/c1-13-5-3-4-10-23(13)12-18-21-16-11-17(26-19(16)20(24)22-18)14-6-8-15(25-2)9-7-14/h6-9,11,13H,3-5,10,12H2,1-2H3,(H,21,22,24).
What are the key properties of 6-(4-methoxyphenyl)-2-[(2-methylpiperidin-1-yl)methyl]-3H-thieno[3,2-d]pyrimidin-4-one?
6-(4-methoxyphenyl)-2-[(2-methylpiperidin-1-yl)methyl]-3H-thieno[3,2-d]pyrimidin-4-one has a molecular weight of 369.49 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-2-[(2-methylpiperidin-1-yl)methyl]-3H-thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 135971015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).