5-[(2-methoxy-N-methylanilino)methyl]-N-propylpyrazin-2-amine

C16H22N4O — CID 103055919

IUPAC5-[(2-methoxy-N-methylanilino)methyl]-N-propylpyrazin-2-amine
SMILESCCCNc1cnc(CN(C)c2ccccc2OC)cn1
InChIInChI=1S/C16H22N4O/c1-4-9-17-16-11-18-13(10-19-16)12-20(2)14-7-5-6-8-15(14)21-3/h5-8,10-11H,4,9,12H2,1-3H3,(H,17,19)
InChIKeyNHYHYMMXRVTHCR-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.94
Rot. Bonds7

About 5-[(2-methoxy-N-methylanilino)methyl]-N-propylpyrazin-2-amine

5-[(2-methoxy-N-methylanilino)methyl]-N-propylpyrazin-2-amine (PubChem CID 103055919) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 5-[(2-methoxy-N-methylanilino)methyl]-N-propylpyrazin-2-amine.

Molecular Properties

Compound Name5-[(2-methoxy-N-methylanilino)methyl]-N-propylpyrazin-2-amine
PubChem CID103055919
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name5-[(2-methoxy-N-methylanilino)methyl]-N-propylpyrazin-2-amine
SMILESCCCNc1cnc(CN(C)c2ccccc2OC)cn1
InChIInChI=1S/C16H22N4O/c1-4-9-17-16-11-18-13(10-19-16)12-20(2)14-7-5-6-8-15(14)21-3/h5-8,10-11H,4,9,12H2,1-3H3,(H,17,19)
InChIKeyNHYHYMMXRVTHCR-UHFFFAOYSA-N
XLogP2.94
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[ethyl(pyridin-2-ylmethyl)amino]methyl]-N-propylpyrazin-2-amine
CID 103056698
2-[methyl-[[5-(propylamino)pyrazin-2-yl]methyl]amino]acetamide
CID 103055637
1-methoxy-3-[methyl-[[5-(propylamino)pyrazin-2-yl]methyl]amino]propan-2-ol
CID 103056206
5-[(N,2-dimethylanilino)methyl]-N-propylpyridin-2-amine
CID 62209613
2-methoxy-N-methyl-N-propylaniline
CID 23198488
2-fluoro-N-[(5-hydrazinylpyrazin-2-yl)methyl]-N-methylaniline
CID 103060603
5-chloro-4-N-(2-methoxyphenyl)-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80796240
N-[(4-hydrazinyl-2-pyridinyl)methyl]-2-methoxy-N-methylaniline
CID 79260460
5-[(2-fluoro-N-methylanilino)methyl]-N-propylpyridin-2-amine
CID 62209615
5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-N-propylpyrazin-2-amine
CID 103055827
5-[[2-ethoxyethyl(ethyl)amino]methyl]-N-propylpyrazin-2-amine
CID 103056461
5-[(4-methoxyphenyl)sulfanylmethyl]-N-propylpyrazin-2-amine
CID 103059724

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methoxy-N-methylanilino)methyl]-N-propylpyrazin-2-amine?
The IUPAC name of 5-[(2-methoxy-N-methylanilino)methyl]-N-propylpyrazin-2-amine (CID 103055919) is 5-[(2-methoxy-N-methylanilino)methyl]-N-propylpyrazin-2-amine.
What is the SMILES notation for 5-[(2-methoxy-N-methylanilino)methyl]-N-propylpyrazin-2-amine?
The canonical SMILES for 5-[(2-methoxy-N-methylanilino)methyl]-N-propylpyrazin-2-amine is CCCNc1cnc(CN(C)c2ccccc2OC)cn1.
What is the InChIKey of 5-[(2-methoxy-N-methylanilino)methyl]-N-propylpyrazin-2-amine?
The InChIKey is NHYHYMMXRVTHCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-4-9-17-16-11-18-13(10-19-16)12-20(2)14-7-5-6-8-15(14)21-3/h5-8,10-11H,4,9,12H2,1-3H3,(H,17,19).
What are the key properties of 5-[(2-methoxy-N-methylanilino)methyl]-N-propylpyrazin-2-amine?
5-[(2-methoxy-N-methylanilino)methyl]-N-propylpyrazin-2-amine has a molecular weight of 286.38 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methoxy-N-methylanilino)methyl]-N-propylpyrazin-2-amine is sourced from PubChem (CID 103055919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).