1-[3-amino-6-[2-methyl-4-(methylaminomethyl)phenyl]pyrazin-2-yl]-2-(4-morpholin-4-yl-3-pyridinyl)ethanone

C24H28N6O2 — CID 167623393

IUPAC1-[3-amino-6-[2-methyl-4-(methylaminomethyl)phenyl]pyrazin-2-yl]-2-(4-morpholin-4-yl-3-pyridinyl)ethanone
SMILESCNCc1ccc(-c2cnc(N)c(C(=O)Cc3cnccc3N3CCOCC3)n2)c(C)c1
InChIInChI=1S/C24H28N6O2/c1-16-11-17(13-26-2)3-4-19(16)20-15-28-24(25)23(29-20)22(31)12-18-14-27-6-5-21(18)30-7-9-32-10-8-30/h3-6,11,14-15,26H,7-10,12-13H2,1-2H3,(H2,25,28)
InChIKeyMTHJRYAQJZYPLL-UHFFFAOYSA-N
MW432.53 g/mol
LogP2.41
Rot. Bonds7

About 1-[3-amino-6-[2-methyl-4-(methylaminomethyl)phenyl]pyrazin-2-yl]-2-(4-morpholin-4-yl-3-pyridinyl)ethanone

1-[3-amino-6-[2-methyl-4-(methylaminomethyl)phenyl]pyrazin-2-yl]-2-(4-morpholin-4-yl-3-pyridinyl)ethanone (PubChem CID 167623393) has the molecular formula C24H28N6O2 and a molecular weight of 432.53 g/mol. Its IUPAC name is 1-[3-amino-6-[2-methyl-4-(methylaminomethyl)phenyl]pyrazin-2-yl]-2-(4-morpholin-4-yl-3-pyridinyl)ethanone.

Molecular Properties

Compound Name1-[3-amino-6-[2-methyl-4-(methylaminomethyl)phenyl]pyrazin-2-yl]-2-(4-morpholin-4-yl-3-pyridinyl)ethanone
PubChem CID167623393
Molecular FormulaC24H28N6O2
Molecular Weight432.53 g/mol
Exact Mass432.23
IUPAC Name1-[3-amino-6-[2-methyl-4-(methylaminomethyl)phenyl]pyrazin-2-yl]-2-(4-morpholin-4-yl-3-pyridinyl)ethanone
SMILESCNCc1ccc(-c2cnc(N)c(C(=O)Cc3cnccc3N3CCOCC3)n2)c(C)c1
InChIInChI=1S/C24H28N6O2/c1-16-11-17(13-26-2)3-4-19(16)20-15-28-24(25)23(29-20)22(31)12-18-14-27-6-5-21(18)30-7-9-32-10-8-30/h3-6,11,14-15,26H,7-10,12-13H2,1-2H3,(H2,25,28)
InChIKeyMTHJRYAQJZYPLL-UHFFFAOYSA-N
XLogP2.41
TPSA106.26 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.53
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-[3-amino-6-[2-methyl-4-(methylaminomethyl)phenyl]pyrazin-2-yl]-2-(4-morpholin-4-yl-3-pyridinyl)ethanone with MolForge

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Related Compounds

1-[3-amino-6-(2,4-dichlorophenyl)pyrazin-2-yl]-2-(4-morpholin-4-yl-3-pyridinyl)ethanone
CID 167633645
1-[4-[5-amino-6-[2-(4-morpholin-4-yl-3-pyridinyl)acetyl]pyrazin-2-yl]phenyl]-4-(methylamino)butan-1-one
CID 167550963
1-(3-amino-6-phenylpyrazin-2-yl)-2-(4-morpholin-4-yl-3-pyridinyl)ethanone
CID 167691905
(2S)-3-[4-[5-amino-6-[2-(4-morpholin-4-yl-3-pyridinyl)acetyl]pyrazin-2-yl]phenyl]-2-(methylamino)propanoic acid
CID 167698926
methyl (2S)-2-amino-3-[4-[5-amino-6-[2-(4-morpholin-4-yl-3-pyridinyl)acetyl]pyrazin-2-yl]phenyl]propanoate
CID 167597149
1-[3-amino-6-[4-(3-aminopropyl)phenyl]pyrazin-2-yl]-2-(4-morpholin-4-yl-3-pyridinyl)ethanone
CID 167672209
1-[3-amino-6-(3-butylphenyl)pyrazin-2-yl]-2-(4-morpholin-4-yl-3-pyridinyl)ethanone
CID 167680699
1-[3-amino-6-(3-chlorophenyl)pyrazin-2-yl]-2-(4-morpholin-4-yl-3-pyridinyl)ethanone
CID 167618356
1-[3-amino-6-(3,4-dihydro-2H-chromen-6-yl)pyrazin-2-yl]-2-(4-morpholin-4-yl-3-pyridinyl)ethanone
CID 167679439
tert-butyl N-[5-[5-amino-6-[2-(4-morpholin-4-yl-3-pyridinyl)acetyl]pyrazin-2-yl]-2,3-dihydro-1H-inden-2-yl]carbamate
CID 167555274
tert-butyl 4-[5-amino-6-[2-(4-morpholin-4-yl-3-pyridinyl)acetyl]pyrazin-2-yl]piperazine-1-carboxylate
CID 167538107
tert-butyl 1-(aminomethyl)-6-[5-amino-6-[2-(4-morpholin-4-yl-3-pyridinyl)acetyl]pyrazin-2-yl]-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 167628486

Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-6-[2-methyl-4-(methylaminomethyl)phenyl]pyrazin-2-yl]-2-(4-morpholin-4-yl-3-pyridinyl)ethanone?
The IUPAC name of 1-[3-amino-6-[2-methyl-4-(methylaminomethyl)phenyl]pyrazin-2-yl]-2-(4-morpholin-4-yl-3-pyridinyl)ethanone (CID 167623393) is 1-[3-amino-6-[2-methyl-4-(methylaminomethyl)phenyl]pyrazin-2-yl]-2-(4-morpholin-4-yl-3-pyridinyl)ethanone.
What is the SMILES notation for 1-[3-amino-6-[2-methyl-4-(methylaminomethyl)phenyl]pyrazin-2-yl]-2-(4-morpholin-4-yl-3-pyridinyl)ethanone?
The canonical SMILES for 1-[3-amino-6-[2-methyl-4-(methylaminomethyl)phenyl]pyrazin-2-yl]-2-(4-morpholin-4-yl-3-pyridinyl)ethanone is CNCc1ccc(-c2cnc(N)c(C(=O)Cc3cnccc3N3CCOCC3)n2)c(C)c1.
What is the InChIKey of 1-[3-amino-6-[2-methyl-4-(methylaminomethyl)phenyl]pyrazin-2-yl]-2-(4-morpholin-4-yl-3-pyridinyl)ethanone?
The InChIKey is MTHJRYAQJZYPLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O2/c1-16-11-17(13-26-2)3-4-19(16)20-15-28-24(25)23(29-20)22(31)12-18-14-27-6-5-21(18)30-7-9-32-10-8-30/h3-6,11,14-15,26H,7-10,12-13H2,1-2H3,(H2,25,28).
What are the key properties of 1-[3-amino-6-[2-methyl-4-(methylaminomethyl)phenyl]pyrazin-2-yl]-2-(4-morpholin-4-yl-3-pyridinyl)ethanone?
1-[3-amino-6-[2-methyl-4-(methylaminomethyl)phenyl]pyrazin-2-yl]-2-(4-morpholin-4-yl-3-pyridinyl)ethanone has a molecular weight of 432.53 g/mol, XLogP of 2.41, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-6-[2-methyl-4-(methylaminomethyl)phenyl]pyrazin-2-yl]-2-(4-morpholin-4-yl-3-pyridinyl)ethanone is sourced from PubChem (CID 167623393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).