N,N-dimethyl-5-[[4-[(3-methylimidazol-4-yl)methyl]-1,4-oxazepan-6-yl]methyl]pyrazin-2-amine

C17H26N6O — CID 110272077

IUPACN,N-dimethyl-5-[[4-[(3-methylimidazol-4-yl)methyl]-1,4-oxazepan-6-yl]methyl]pyrazin-2-amine
SMILESCN(C)c1cnc(CC2COCCN(Cc3cncn3C)C2)cn1
InChIInChI=1S/C17H26N6O/c1-21(2)17-9-19-15(7-20-17)6-14-10-23(4-5-24-12-14)11-16-8-18-13-22(16)3/h7-9,13-14H,4-6,10-12H2,1-3H3
InChIKeyBIBGNNALDCDMFA-UHFFFAOYSA-N
MW330.44 g/mol
LogP0.97
Rot. Bonds5

About N,N-dimethyl-5-[[4-[(3-methylimidazol-4-yl)methyl]-1,4-oxazepan-6-yl]methyl]pyrazin-2-amine

N,N-dimethyl-5-[[4-[(3-methylimidazol-4-yl)methyl]-1,4-oxazepan-6-yl]methyl]pyrazin-2-amine (PubChem CID 110272077) has the molecular formula C17H26N6O and a molecular weight of 330.44 g/mol. Its IUPAC name is N,N-dimethyl-5-[[4-[(3-methylimidazol-4-yl)methyl]-1,4-oxazepan-6-yl]methyl]pyrazin-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-5-[[4-[(3-methylimidazol-4-yl)methyl]-1,4-oxazepan-6-yl]methyl]pyrazin-2-amine
PubChem CID110272077
Molecular FormulaC17H26N6O
Molecular Weight330.44 g/mol
Exact Mass330.22
IUPAC NameN,N-dimethyl-5-[[4-[(3-methylimidazol-4-yl)methyl]-1,4-oxazepan-6-yl]methyl]pyrazin-2-amine
SMILESCN(C)c1cnc(CC2COCCN(Cc3cncn3C)C2)cn1
InChIInChI=1S/C17H26N6O/c1-21(2)17-9-19-15(7-20-17)6-14-10-23(4-5-24-12-14)11-16-8-18-13-22(16)3/h7-9,13-14H,4-6,10-12H2,1-3H3
InChIKeyBIBGNNALDCDMFA-UHFFFAOYSA-N
XLogP0.97
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N,N-dimethyl-5-[[4-[(3-methylimidazol-4-yl)methyl]-1,4-oxazepan-6-yl]methyl]pyrazin-2-amine with MolForge

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Related Compounds

(6S)-4-[(3-methylimidazol-4-yl)methyl]-6-(pyridin-3-ylmethyl)-1,4-oxazepane
CID 124953603
(6R)-4-[(3-methylimidazol-4-yl)methyl]-6-(pyrrolo[1,2-a]pyrazin-1-ylmethyl)-1,4-oxazepane
CID 125001970
4-[(3-methylimidazol-4-yl)methyl]-6-(pyrrolo[1,2-a]pyrazin-1-ylmethyl)-1,4-oxazepane
CID 110111228
(6S)-6-(1H-indazol-5-ylmethyl)-4-[(3-methylimidazol-4-yl)methyl]-1,4-oxazepane
CID 125019193
N,N-dimethyl-5-[(4-methylsulfonyl-1,4-oxazepan-6-yl)methyl]pyrazin-2-amine
CID 110269110
(6R)-4-[(1-methylimidazol-2-yl)methyl]-6-[(5-methylpyrazin-2-yl)methyl]-1,4-oxazepane
CID 95848013
5-[[(6S)-4-[(2-methylpyrazol-3-yl)methyl]-1,4-oxazepan-6-yl]methyl]pyrazine-2-carboxamide
CID 95842649
4-[(1-methylimidazol-2-yl)methyl]-6-(pyrazin-2-ylmethyl)-1,4-oxazepane
CID 110130952
(6R)-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-(pyrazin-2-ylmethyl)-1,4-oxazepane
CID 95846087
(2R)-4-[(3-methylimidazol-4-yl)methyl]-2-(morpholin-4-ylmethyl)-1,4-oxazepane
CID 99933209
N,N-dimethyl-5-[[(6S)-6-[(6-methylpyrimidin-4-yl)methyl]-1,4-oxazepan-4-yl]methyl]pyrimidin-2-amine
CID 125012611
(6R)-4-(1H-imidazol-2-ylmethyl)-6-(pyrazin-2-ylmethyl)-1,4-oxazepane
CID 124948146

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-[[4-[(3-methylimidazol-4-yl)methyl]-1,4-oxazepan-6-yl]methyl]pyrazin-2-amine?
The IUPAC name of N,N-dimethyl-5-[[4-[(3-methylimidazol-4-yl)methyl]-1,4-oxazepan-6-yl]methyl]pyrazin-2-amine (CID 110272077) is N,N-dimethyl-5-[[4-[(3-methylimidazol-4-yl)methyl]-1,4-oxazepan-6-yl]methyl]pyrazin-2-amine.
What is the SMILES notation for N,N-dimethyl-5-[[4-[(3-methylimidazol-4-yl)methyl]-1,4-oxazepan-6-yl]methyl]pyrazin-2-amine?
The canonical SMILES for N,N-dimethyl-5-[[4-[(3-methylimidazol-4-yl)methyl]-1,4-oxazepan-6-yl]methyl]pyrazin-2-amine is CN(C)c1cnc(CC2COCCN(Cc3cncn3C)C2)cn1.
What is the InChIKey of N,N-dimethyl-5-[[4-[(3-methylimidazol-4-yl)methyl]-1,4-oxazepan-6-yl]methyl]pyrazin-2-amine?
The InChIKey is BIBGNNALDCDMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6O/c1-21(2)17-9-19-15(7-20-17)6-14-10-23(4-5-24-12-14)11-16-8-18-13-22(16)3/h7-9,13-14H,4-6,10-12H2,1-3H3.
What are the key properties of N,N-dimethyl-5-[[4-[(3-methylimidazol-4-yl)methyl]-1,4-oxazepan-6-yl]methyl]pyrazin-2-amine?
N,N-dimethyl-5-[[4-[(3-methylimidazol-4-yl)methyl]-1,4-oxazepan-6-yl]methyl]pyrazin-2-amine has a molecular weight of 330.44 g/mol, XLogP of 0.97, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-[[4-[(3-methylimidazol-4-yl)methyl]-1,4-oxazepan-6-yl]methyl]pyrazin-2-amine is sourced from PubChem (CID 110272077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).