N-[2-(2-methoxyphenyl)propyl]-3,6-dimethylpyrazin-2-amine

C16H21N3O — CID 133469828

IUPACN-[2-(2-methoxyphenyl)propyl]-3,6-dimethylpyrazin-2-amine
SMILESCOc1ccccc1C(C)CNc1nc(C)cnc1C
InChIInChI=1S/C16H21N3O/c1-11(14-7-5-6-8-15(14)20-4)9-18-16-13(3)17-10-12(2)19-16/h5-8,10-11H,9H2,1-4H3,(H,18,19)
InChIKeyVEWCBIIKZGGHKS-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.32
Rot. Bonds5

About N-[2-(2-methoxyphenyl)propyl]-3,6-dimethylpyrazin-2-amine

N-[2-(2-methoxyphenyl)propyl]-3,6-dimethylpyrazin-2-amine (PubChem CID 133469828) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-[2-(2-methoxyphenyl)propyl]-3,6-dimethylpyrazin-2-amine.

Molecular Properties

Compound NameN-[2-(2-methoxyphenyl)propyl]-3,6-dimethylpyrazin-2-amine
PubChem CID133469828
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-[2-(2-methoxyphenyl)propyl]-3,6-dimethylpyrazin-2-amine
SMILESCOc1ccccc1C(C)CNc1nc(C)cnc1C
InChIInChI=1S/C16H21N3O/c1-11(14-7-5-6-8-15(14)20-4)9-18-16-13(3)17-10-12(2)19-16/h5-8,10-11H,9H2,1-4H3,(H,18,19)
InChIKeyVEWCBIIKZGGHKS-UHFFFAOYSA-N
XLogP3.32
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3,6-dimethylpyrazin-2-yl)amino]-1-phenylethanol
CID 60634143
N-[2-(2-aminophenoxy)ethyl]-3,6-dimethylpyrazin-2-amine
CID 54915740
(1R)-N'-(3,6-dimethylpyrazin-2-yl)-1-(3-fluorophenyl)-N,N-dimethylethane-1,2-diamine
CID 99773597
(3S)-4-[(3,6-dimethylpyrazin-2-yl)amino]-3-phenylbutan-1-ol
CID 124617179
3-methoxy-N-(2-phenylpropyl)pyridin-2-amine
CID 113430232
3-methoxy-6-methyl-N-(2-methylpropyl)pyridin-2-amine
CID 115876837
5,6-diethyl-3-[2-(2-methoxyphenyl)propylamino]pyridazine-4-carbonitrile
CID 133361072
(2S)-1-[(3,6-dimethylpyrazin-2-yl)amino]-3-(3-methylphenoxy)propan-2-ol
CID 125137805
3,6-dimethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyrazin-2-amine
CID 65416239
(4R)-N-tert-butyl-4-(2-methoxyphenyl)-2-methylpentan-1-amine
CID 58313669
3,6-dimethyl-N-phenylpyrazin-2-amine
CID 518389
1-butan-2-yl-3-[2-(2-methoxyphenyl)propyl]-2-methylguanidine
CID 110945322

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenyl)propyl]-3,6-dimethylpyrazin-2-amine?
The IUPAC name of N-[2-(2-methoxyphenyl)propyl]-3,6-dimethylpyrazin-2-amine (CID 133469828) is N-[2-(2-methoxyphenyl)propyl]-3,6-dimethylpyrazin-2-amine.
What is the SMILES notation for N-[2-(2-methoxyphenyl)propyl]-3,6-dimethylpyrazin-2-amine?
The canonical SMILES for N-[2-(2-methoxyphenyl)propyl]-3,6-dimethylpyrazin-2-amine is COc1ccccc1C(C)CNc1nc(C)cnc1C.
What is the InChIKey of N-[2-(2-methoxyphenyl)propyl]-3,6-dimethylpyrazin-2-amine?
The InChIKey is VEWCBIIKZGGHKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-11(14-7-5-6-8-15(14)20-4)9-18-16-13(3)17-10-12(2)19-16/h5-8,10-11H,9H2,1-4H3,(H,18,19).
What are the key properties of N-[2-(2-methoxyphenyl)propyl]-3,6-dimethylpyrazin-2-amine?
N-[2-(2-methoxyphenyl)propyl]-3,6-dimethylpyrazin-2-amine has a molecular weight of 271.36 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenyl)propyl]-3,6-dimethylpyrazin-2-amine is sourced from PubChem (CID 133469828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).