3-N-[[3-(methoxymethyl)phenyl]methyl]pyrazine-2,3-diamine

C13H16N4O — CID 113228936

IUPAC3-N-[[3-(methoxymethyl)phenyl]methyl]pyrazine-2,3-diamine
SMILESCOCc1cccc(CNc2nccnc2N)c1
InChIInChI=1S/C13H16N4O/c1-18-9-11-4-2-3-10(7-11)8-17-13-12(14)15-5-6-16-13/h2-7H,8-9H2,1H3,(H2,14,15)(H,16,17)
InChIKeyMQDSVFIXCSMYFV-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.82
Rot. Bonds5

About 3-N-[[3-(methoxymethyl)phenyl]methyl]pyrazine-2,3-diamine

3-N-[[3-(methoxymethyl)phenyl]methyl]pyrazine-2,3-diamine (PubChem CID 113228936) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 3-N-[[3-(methoxymethyl)phenyl]methyl]pyrazine-2,3-diamine.

Molecular Properties

Compound Name3-N-[[3-(methoxymethyl)phenyl]methyl]pyrazine-2,3-diamine
PubChem CID113228936
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name3-N-[[3-(methoxymethyl)phenyl]methyl]pyrazine-2,3-diamine
SMILESCOCc1cccc(CNc2nccnc2N)c1
InChIInChI=1S/C13H16N4O/c1-18-9-11-4-2-3-10(7-11)8-17-13-12(14)15-5-6-16-13/h2-7H,8-9H2,1H3,(H2,14,15)(H,16,17)
InChIKeyMQDSVFIXCSMYFV-UHFFFAOYSA-N
XLogP1.82
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[3-(methoxymethyl)phenyl]methylamino]pyrazine-2-carbonitrile
CID 62672178
3-bromo-N-[[3-(methoxymethyl)phenyl]methyl]-4-methylpyridin-2-amine
CID 106875542
6-chloro-5-methoxy-N-[[3-(methoxymethyl)phenyl]methyl]pyrimidin-4-amine
CID 106193509
N-[[3-(methoxymethyl)phenyl]methyl]pyrimidin-4-amine
CID 61253758
5-iodo-N-[[3-(methoxymethyl)phenyl]methyl]pyrimidin-4-amine
CID 66342329
3-N-[(4-ethylphenyl)methyl]pyrazine-2,3-diamine
CID 103634007
5-bromo-6-chloro-N-[[3-(methoxymethyl)phenyl]methyl]pyrimidin-4-amine
CID 106193488
1-[3-(methoxymethyl)phenyl]-N-[(2-methylpropan-2-yl)oxy]methanamine
CID 82720712
[3-(methoxymethyl)phenyl]methanamine
CID 16787292
N-[[3-(methoxymethyl)phenyl]methyl]-6-methylpyrimidin-4-amine
CID 61226702
6-chloro-N-[[3-(methoxymethyl)phenyl]methyl]-5-propylpyrimidin-4-amine
CID 106193512
2-N-[(3-methoxyphenyl)methyl]pyridine-2,3-diamine
CID 61029303

Frequently Asked Questions

What is the IUPAC name of 3-N-[[3-(methoxymethyl)phenyl]methyl]pyrazine-2,3-diamine?
The IUPAC name of 3-N-[[3-(methoxymethyl)phenyl]methyl]pyrazine-2,3-diamine (CID 113228936) is 3-N-[[3-(methoxymethyl)phenyl]methyl]pyrazine-2,3-diamine.
What is the SMILES notation for 3-N-[[3-(methoxymethyl)phenyl]methyl]pyrazine-2,3-diamine?
The canonical SMILES for 3-N-[[3-(methoxymethyl)phenyl]methyl]pyrazine-2,3-diamine is COCc1cccc(CNc2nccnc2N)c1.
What is the InChIKey of 3-N-[[3-(methoxymethyl)phenyl]methyl]pyrazine-2,3-diamine?
The InChIKey is MQDSVFIXCSMYFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-18-9-11-4-2-3-10(7-11)8-17-13-12(14)15-5-6-16-13/h2-7H,8-9H2,1H3,(H2,14,15)(H,16,17).
What are the key properties of 3-N-[[3-(methoxymethyl)phenyl]methyl]pyrazine-2,3-diamine?
3-N-[[3-(methoxymethyl)phenyl]methyl]pyrazine-2,3-diamine has a molecular weight of 244.30 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[[3-(methoxymethyl)phenyl]methyl]pyrazine-2,3-diamine is sourced from PubChem (CID 113228936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).