N-[(3,5-dimethoxypyrazin-2-yl)-(1-methylimidazol-4-yl)methyl]propan-1-amine

C14H21N5O2 — CID 107977129

IUPACN-[(3,5-dimethoxypyrazin-2-yl)-(1-methylimidazol-4-yl)methyl]propan-1-amine
SMILESCCCNC(c1cn(C)cn1)c1ncc(OC)nc1OC
InChIInChI=1S/C14H21N5O2/c1-5-6-15-12(10-8-19(2)9-17-10)13-14(21-4)18-11(20-3)7-16-13/h7-9,12,15H,5-6H2,1-4H3
InChIKeyPUYHWBOPSCKZME-UHFFFAOYSA-N
MW291.36 g/mol
LogP1.32
Rot. Bonds7

About N-[(3,5-dimethoxypyrazin-2-yl)-(1-methylimidazol-4-yl)methyl]propan-1-amine

N-[(3,5-dimethoxypyrazin-2-yl)-(1-methylimidazol-4-yl)methyl]propan-1-amine (PubChem CID 107977129) has the molecular formula C14H21N5O2 and a molecular weight of 291.36 g/mol. Its IUPAC name is N-[(3,5-dimethoxypyrazin-2-yl)-(1-methylimidazol-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3,5-dimethoxypyrazin-2-yl)-(1-methylimidazol-4-yl)methyl]propan-1-amine
PubChem CID107977129
Molecular FormulaC14H21N5O2
Molecular Weight291.36 g/mol
Exact Mass291.17
IUPAC NameN-[(3,5-dimethoxypyrazin-2-yl)-(1-methylimidazol-4-yl)methyl]propan-1-amine
SMILESCCCNC(c1cn(C)cn1)c1ncc(OC)nc1OC
InChIInChI=1S/C14H21N5O2/c1-5-6-15-12(10-8-19(2)9-17-10)13-14(21-4)18-11(20-3)7-16-13/h7-9,12,15H,5-6H2,1-4H3
InChIKeyPUYHWBOPSCKZME-UHFFFAOYSA-N
XLogP1.32
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(3,5-dimethoxypyrazin-2-yl)-(1-methylimidazol-4-yl)methanol
CID 107978634
N-[(3,5-dimethoxypyrazin-2-yl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine
CID 105178358
N-[(3-chlorothiophen-2-yl)-(3,5-dimethoxypyrazin-2-yl)methyl]propan-1-amine
CID 105031226
1-(3,5-dimethoxypyrazin-2-yl)-3-methyl-N-propylpentan-1-amine
CID 105031186
N-[1-(3,5-dimethoxypyrazin-2-yl)-2-[(2-methylpropan-2-yl)oxy]ethyl]propan-1-amine
CID 105178294
1-(3,5-dimethoxypyrazin-2-yl)-4-methoxy-3-methyl-N-propylbutan-1-amine
CID 105178242
N-[2-cyclobutyl-1-(3,5-dimethoxypyrazin-2-yl)ethyl]propan-1-amine
CID 103169401
N-[(3,5-dimethoxypyrazin-2-yl)-pyridin-4-ylmethyl]ethanamine
CID 105065997
N-[(3-fluoro-5-methylphenyl)-(1-methylimidazol-4-yl)methyl]propan-1-amine
CID 107976585
[(3,5-dimethoxypyrazin-2-yl)-(furan-3-yl)methyl]hydrazine
CID 105332203
N-[(3-chlorothiophen-2-yl)-(1-methylimidazol-4-yl)methyl]propan-1-amine
CID 107978081
3-ethyl-1-(1-methylimidazol-4-yl)-N-propylpentan-1-amine
CID 107977060

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethoxypyrazin-2-yl)-(1-methylimidazol-4-yl)methyl]propan-1-amine?
The IUPAC name of N-[(3,5-dimethoxypyrazin-2-yl)-(1-methylimidazol-4-yl)methyl]propan-1-amine (CID 107977129) is N-[(3,5-dimethoxypyrazin-2-yl)-(1-methylimidazol-4-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3,5-dimethoxypyrazin-2-yl)-(1-methylimidazol-4-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(3,5-dimethoxypyrazin-2-yl)-(1-methylimidazol-4-yl)methyl]propan-1-amine is CCCNC(c1cn(C)cn1)c1ncc(OC)nc1OC.
What is the InChIKey of N-[(3,5-dimethoxypyrazin-2-yl)-(1-methylimidazol-4-yl)methyl]propan-1-amine?
The InChIKey is PUYHWBOPSCKZME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2/c1-5-6-15-12(10-8-19(2)9-17-10)13-14(21-4)18-11(20-3)7-16-13/h7-9,12,15H,5-6H2,1-4H3.
What are the key properties of N-[(3,5-dimethoxypyrazin-2-yl)-(1-methylimidazol-4-yl)methyl]propan-1-amine?
N-[(3,5-dimethoxypyrazin-2-yl)-(1-methylimidazol-4-yl)methyl]propan-1-amine has a molecular weight of 291.36 g/mol, XLogP of 1.32, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethoxypyrazin-2-yl)-(1-methylimidazol-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 107977129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).