N,N-dimethyl-1-(5-phenyl-4-quinoxalin-6-yloxythieno[2,3-d]pyrimidin-2-yl)methanamine

C23H19N5OS — CID 133406632

IUPACN,N-dimethyl-1-(5-phenyl-4-quinoxalin-6-yloxythieno[2,3-d]pyrimidin-2-yl)methanamine
SMILESCN(C)Cc1nc(Oc2ccc3nccnc3c2)c2c(-c3ccccc3)csc2n1
InChIInChI=1S/C23H19N5OS/c1-28(2)13-20-26-22(29-16-8-9-18-19(12-16)25-11-10-24-18)21-17(14-30-23(21)27-20)15-6-4-3-5-7-15/h3-12,14H,13H2,1-2H3
InChIKeyHRXPMFSAEBWBPO-UHFFFAOYSA-N
MW413.51 g/mol
LogP5.16
Rot. Bonds5

About N,N-dimethyl-1-(5-phenyl-4-quinoxalin-6-yloxythieno[2,3-d]pyrimidin-2-yl)methanamine

N,N-dimethyl-1-(5-phenyl-4-quinoxalin-6-yloxythieno[2,3-d]pyrimidin-2-yl)methanamine (PubChem CID 133406632) has the molecular formula C23H19N5OS and a molecular weight of 413.51 g/mol. Its IUPAC name is N,N-dimethyl-1-(5-phenyl-4-quinoxalin-6-yloxythieno[2,3-d]pyrimidin-2-yl)methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-(5-phenyl-4-quinoxalin-6-yloxythieno[2,3-d]pyrimidin-2-yl)methanamine
PubChem CID133406632
Molecular FormulaC23H19N5OS
Molecular Weight413.51 g/mol
Exact Mass413.13
IUPAC NameN,N-dimethyl-1-(5-phenyl-4-quinoxalin-6-yloxythieno[2,3-d]pyrimidin-2-yl)methanamine
SMILESCN(C)Cc1nc(Oc2ccc3nccnc3c2)c2c(-c3ccccc3)csc2n1
InChIInChI=1S/C23H19N5OS/c1-28(2)13-20-26-22(29-16-8-9-18-19(12-16)25-11-10-24-18)21-17(14-30-23(21)27-20)15-6-4-3-5-7-15/h3-12,14H,13H2,1-2H3
InChIKeyHRXPMFSAEBWBPO-UHFFFAOYSA-N
XLogP5.16
TPSA64.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.51
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[4-[(2-bromo-3-pyridinyl)oxy]-5-phenylthieno[2,3-d]pyrimidin-2-yl]-N,N-dimethylmethanamine
CID 133279161
2-[(dimethylamino)methyl]-N-methyl-5-phenyl-N-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 141105809
N,N-dimethyl-1-(5-phenyl-4-pyridin-2-ylthieno[2,3-d]pyrimidin-2-yl)methanamine
CID 141105825
2-(methoxymethyl)-4-[(6-methyl-3-pyridinyl)oxy]-5-phenylthieno[2,3-d]pyrimidine
CID 75418773
2-[[2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]ethanol
CID 133278690
(3R,4S)-1-[2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-yl]-4-(hydroxymethyl)piperidin-3-ol
CID 100603327
(3R,4R)-1-[2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-yl]-4-(hydroxymethyl)piperidin-3-ol
CID 100603337
4-[(2-bromo-3-pyridinyl)oxy]-2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidine
CID 133279160
2-methyl-5-phenyl-4-pyridin-3-yloxythieno[2,3-d]pyrimidine
CID 40710056
N-cyclopent-3-en-1-yl-2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 133362238
2-[[2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]propanoic acid
CID 122058325
N,N-dimethyl-1-(4-morpholin-4-yl-5-phenylthieno[2,3-d]pyrimidin-2-yl)methanamine
CID 133278686

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(5-phenyl-4-quinoxalin-6-yloxythieno[2,3-d]pyrimidin-2-yl)methanamine?
The IUPAC name of N,N-dimethyl-1-(5-phenyl-4-quinoxalin-6-yloxythieno[2,3-d]pyrimidin-2-yl)methanamine (CID 133406632) is N,N-dimethyl-1-(5-phenyl-4-quinoxalin-6-yloxythieno[2,3-d]pyrimidin-2-yl)methanamine.
What is the SMILES notation for N,N-dimethyl-1-(5-phenyl-4-quinoxalin-6-yloxythieno[2,3-d]pyrimidin-2-yl)methanamine?
The canonical SMILES for N,N-dimethyl-1-(5-phenyl-4-quinoxalin-6-yloxythieno[2,3-d]pyrimidin-2-yl)methanamine is CN(C)Cc1nc(Oc2ccc3nccnc3c2)c2c(-c3ccccc3)csc2n1.
What is the InChIKey of N,N-dimethyl-1-(5-phenyl-4-quinoxalin-6-yloxythieno[2,3-d]pyrimidin-2-yl)methanamine?
The InChIKey is HRXPMFSAEBWBPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5OS/c1-28(2)13-20-26-22(29-16-8-9-18-19(12-16)25-11-10-24-18)21-17(14-30-23(21)27-20)15-6-4-3-5-7-15/h3-12,14H,13H2,1-2H3.
What are the key properties of N,N-dimethyl-1-(5-phenyl-4-quinoxalin-6-yloxythieno[2,3-d]pyrimidin-2-yl)methanamine?
N,N-dimethyl-1-(5-phenyl-4-quinoxalin-6-yloxythieno[2,3-d]pyrimidin-2-yl)methanamine has a molecular weight of 413.51 g/mol, XLogP of 5.16, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(5-phenyl-4-quinoxalin-6-yloxythieno[2,3-d]pyrimidin-2-yl)methanamine is sourced from PubChem (CID 133406632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).