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

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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).