5-(4-methoxyphenyl)-N-(1-methylsulfonylpiperidin-4-yl)thieno[2,3-d]pyrimidin-4-amine

C19H22N4O3S2 — CID 18156182

IUPAC5-(4-methoxyphenyl)-N-(1-methylsulfonylpiperidin-4-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc(-c2csc3ncnc(NC4CCN(S(C)(=O)=O)CC4)c23)cc1
InChIInChI=1S/C19H22N4O3S2/c1-26-15-5-3-13(4-6-15)16-11-27-19-17(16)18(20-12-21-19)22-14-7-9-23(10-8-14)28(2,24)25/h3-6,11-12,14H,7-10H2,1-2H3,(H,20,21,22)
InChIKeyQTSQUESNROQOTM-UHFFFAOYSA-N
MW418.54 g/mol
LogP3.20
Rot. Bonds5

About 5-(4-methoxyphenyl)-N-(1-methylsulfonylpiperidin-4-yl)thieno[2,3-d]pyrimidin-4-amine

5-(4-methoxyphenyl)-N-(1-methylsulfonylpiperidin-4-yl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 18156182) has the molecular formula C19H22N4O3S2 and a molecular weight of 418.54 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-N-(1-methylsulfonylpiperidin-4-yl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-N-(1-methylsulfonylpiperidin-4-yl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID18156182
Molecular FormulaC19H22N4O3S2
Molecular Weight418.54 g/mol
Exact Mass418.11
IUPAC Name5-(4-methoxyphenyl)-N-(1-methylsulfonylpiperidin-4-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc(-c2csc3ncnc(NC4CCN(S(C)(=O)=O)CC4)c23)cc1
InChIInChI=1S/C19H22N4O3S2/c1-26-15-5-3-13(4-6-15)16-11-27-19-17(16)18(20-12-21-19)22-14-7-9-23(10-8-14)28(2,24)25/h3-6,11-12,14H,7-10H2,1-2H3,(H,20,21,22)
InChIKeyQTSQUESNROQOTM-UHFFFAOYSA-N
XLogP3.20
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-N-(1-methylsulfonylpiperidin-4-yl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-(4-methoxyphenyl)-N-(1-methylsulfonylpiperidin-4-yl)thieno[2,3-d]pyrimidin-4-amine (CID 18156182) is 5-(4-methoxyphenyl)-N-(1-methylsulfonylpiperidin-4-yl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-(4-methoxyphenyl)-N-(1-methylsulfonylpiperidin-4-yl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-(4-methoxyphenyl)-N-(1-methylsulfonylpiperidin-4-yl)thieno[2,3-d]pyrimidin-4-amine is COc1ccc(-c2csc3ncnc(NC4CCN(S(C)(=O)=O)CC4)c23)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-N-(1-methylsulfonylpiperidin-4-yl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is QTSQUESNROQOTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3S2/c1-26-15-5-3-13(4-6-15)16-11-27-19-17(16)18(20-12-21-19)22-14-7-9-23(10-8-14)28(2,24)25/h3-6,11-12,14H,7-10H2,1-2H3,(H,20,21,22).
What are the key properties of 5-(4-methoxyphenyl)-N-(1-methylsulfonylpiperidin-4-yl)thieno[2,3-d]pyrimidin-4-amine?
5-(4-methoxyphenyl)-N-(1-methylsulfonylpiperidin-4-yl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 418.54 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-N-(1-methylsulfonylpiperidin-4-yl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 18156182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).