7-methyl-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrido[1,2-a]pyrimidin-4-one

C18H26N4O — CID 42943699

IUPAC7-methyl-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc2nc(NC3CC(C)(C)NC(C)(C)C3)cc(=O)n2c1
InChIInChI=1S/C18H26N4O/c1-12-6-7-15-20-14(8-16(23)22(15)11-12)19-13-9-17(2,3)21-18(4,5)10-13/h6-8,11,13,19,21H,9-10H2,1-5H3
InChIKeyKXPBYMCVBWLJTE-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.72
Rot. Bonds2

About 7-methyl-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrido[1,2-a]pyrimidin-4-one

7-methyl-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 42943699) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is 7-methyl-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-methyl-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrido[1,2-a]pyrimidin-4-one
PubChem CID42943699
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC Name7-methyl-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc2nc(NC3CC(C)(C)NC(C)(C)C3)cc(=O)n2c1
InChIInChI=1S/C18H26N4O/c1-12-6-7-15-20-14(8-16(23)22(15)11-12)19-13-9-17(2,3)21-18(4,5)10-13/h6-8,11,13,19,21H,9-10H2,1-5H3
InChIKeyKXPBYMCVBWLJTE-UHFFFAOYSA-N
XLogP2.72
TPSA58.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-methyl-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrido[1,2-a]pyrimidin-4-one (CID 42943699) is 7-methyl-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-methyl-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-methyl-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrido[1,2-a]pyrimidin-4-one is Cc1ccc2nc(NC3CC(C)(C)NC(C)(C)C3)cc(=O)n2c1.
What is the InChIKey of 7-methyl-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is KXPBYMCVBWLJTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O/c1-12-6-7-15-20-14(8-16(23)22(15)11-12)19-13-9-17(2,3)21-18(4,5)10-13/h6-8,11,13,19,21H,9-10H2,1-5H3.
What are the key properties of 7-methyl-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrido[1,2-a]pyrimidin-4-one?
7-methyl-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 314.43 g/mol, XLogP of 2.72, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 42943699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).