1'-[2-amino-6-(dimethylamino)pyrimidin-4-yl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one

C18H23N7O — CID 70714024

IUPAC1'-[2-amino-6-(dimethylamino)pyrimidin-4-yl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
SMILESCN(C)c1cc(N2CCC3(CC2)Nc2ccccc2NC3=O)nc(N)n1
InChIInChI=1S/C18H23N7O/c1-24(2)14-11-15(22-17(19)21-14)25-9-7-18(8-10-25)16(26)20-12-5-3-4-6-13(12)23-18/h3-6,11,23H,7-10H2,1-2H3,(H,20,26)(H2,19,21,22)
InChIKeyPJSDTOGQYBHZHA-UHFFFAOYSA-N
MW353.43 g/mol
LogP1.53
Rot. Bonds2

About 1'-[2-amino-6-(dimethylamino)pyrimidin-4-yl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one

1'-[2-amino-6-(dimethylamino)pyrimidin-4-yl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one (PubChem CID 70714024) has the molecular formula C18H23N7O and a molecular weight of 353.43 g/mol. Its IUPAC name is 1'-[2-amino-6-(dimethylamino)pyrimidin-4-yl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1'-[2-amino-6-(dimethylamino)pyrimidin-4-yl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
PubChem CID70714024
Molecular FormulaC18H23N7O
Molecular Weight353.43 g/mol
Exact Mass353.20
IUPAC Name1'-[2-amino-6-(dimethylamino)pyrimidin-4-yl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
SMILESCN(C)c1cc(N2CCC3(CC2)Nc2ccccc2NC3=O)nc(N)n1
InChIInChI=1S/C18H23N7O/c1-24(2)14-11-15(22-17(19)21-14)25-9-7-18(8-10-25)16(26)20-12-5-3-4-6-13(12)23-18/h3-6,11,23H,7-10H2,1-2H3,(H,20,26)(H2,19,21,22)
InChIKeyPJSDTOGQYBHZHA-UHFFFAOYSA-N
XLogP1.53
TPSA99.41 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1'-[2-amino-6-(dimethylamino)pyrimidin-4-yl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one?
The IUPAC name of 1'-[2-amino-6-(dimethylamino)pyrimidin-4-yl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one (CID 70714024) is 1'-[2-amino-6-(dimethylamino)pyrimidin-4-yl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one.
What is the SMILES notation for 1'-[2-amino-6-(dimethylamino)pyrimidin-4-yl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one?
The canonical SMILES for 1'-[2-amino-6-(dimethylamino)pyrimidin-4-yl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one is CN(C)c1cc(N2CCC3(CC2)Nc2ccccc2NC3=O)nc(N)n1.
What is the InChIKey of 1'-[2-amino-6-(dimethylamino)pyrimidin-4-yl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one?
The InChIKey is PJSDTOGQYBHZHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N7O/c1-24(2)14-11-15(22-17(19)21-14)25-9-7-18(8-10-25)16(26)20-12-5-3-4-6-13(12)23-18/h3-6,11,23H,7-10H2,1-2H3,(H,20,26)(H2,19,21,22).
What are the key properties of 1'-[2-amino-6-(dimethylamino)pyrimidin-4-yl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one?
1'-[2-amino-6-(dimethylamino)pyrimidin-4-yl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one has a molecular weight of 353.43 g/mol, XLogP of 1.53, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[2-amino-6-(dimethylamino)pyrimidin-4-yl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one is sourced from PubChem (CID 70714024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).