4-[5-(1-methylpiperidin-4-yl)thiophen-2-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-2-amine

C23H35N5S — CID 141103158

IUPAC4-[5-(1-methylpiperidin-4-yl)thiophen-2-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-2-amine
SMILESCN1CCC(c2ccc(-c3ccnc(NC4CC(C)(C)NC(C)(C)C4)n3)s2)CC1
InChIInChI=1S/C23H35N5S/c1-22(2)14-17(15-23(3,4)27-22)25-21-24-11-8-18(26-21)20-7-6-19(29-20)16-9-12-28(5)13-10-16/h6-8,11,16-17,27H,9-10,12-15H2,1-5H3,(H,24,25,26)
InChIKeyGQMBYJPFEAVRJD-UHFFFAOYSA-N
MW413.64 g/mol
LogP4.74
Rot. Bonds4

About 4-[5-(1-methylpiperidin-4-yl)thiophen-2-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-2-amine

4-[5-(1-methylpiperidin-4-yl)thiophen-2-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-2-amine (PubChem CID 141103158) has the molecular formula C23H35N5S and a molecular weight of 413.64 g/mol. Its IUPAC name is 4-[5-(1-methylpiperidin-4-yl)thiophen-2-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-[5-(1-methylpiperidin-4-yl)thiophen-2-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-2-amine
PubChem CID141103158
Molecular FormulaC23H35N5S
Molecular Weight413.64 g/mol
Exact Mass413.26
IUPAC Name4-[5-(1-methylpiperidin-4-yl)thiophen-2-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-2-amine
SMILESCN1CCC(c2ccc(-c3ccnc(NC4CC(C)(C)NC(C)(C)C4)n3)s2)CC1
InChIInChI=1S/C23H35N5S/c1-22(2)14-17(15-23(3,4)27-22)25-21-24-11-8-18(26-21)20-7-6-19(29-20)16-9-12-28(5)13-10-16/h6-8,11,16-17,27H,9-10,12-15H2,1-5H3,(H,24,25,26)
InChIKeyGQMBYJPFEAVRJD-UHFFFAOYSA-N
XLogP4.74
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.64
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(1-methylpiperidin-4-yl)thiophen-2-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-2-amine?
The IUPAC name of 4-[5-(1-methylpiperidin-4-yl)thiophen-2-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-2-amine (CID 141103158) is 4-[5-(1-methylpiperidin-4-yl)thiophen-2-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-[5-(1-methylpiperidin-4-yl)thiophen-2-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-2-amine?
The canonical SMILES for 4-[5-(1-methylpiperidin-4-yl)thiophen-2-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-2-amine is CN1CCC(c2ccc(-c3ccnc(NC4CC(C)(C)NC(C)(C)C4)n3)s2)CC1.
What is the InChIKey of 4-[5-(1-methylpiperidin-4-yl)thiophen-2-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-2-amine?
The InChIKey is GQMBYJPFEAVRJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N5S/c1-22(2)14-17(15-23(3,4)27-22)25-21-24-11-8-18(26-21)20-7-6-19(29-20)16-9-12-28(5)13-10-16/h6-8,11,16-17,27H,9-10,12-15H2,1-5H3,(H,24,25,26).
What are the key properties of 4-[5-(1-methylpiperidin-4-yl)thiophen-2-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-2-amine?
4-[5-(1-methylpiperidin-4-yl)thiophen-2-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-2-amine has a molecular weight of 413.64 g/mol, XLogP of 4.74, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(1-methylpiperidin-4-yl)thiophen-2-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-2-amine is sourced from PubChem (CID 141103158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).