3-[(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]pyrazine-2,6-diamine

C20H22N4O3 — CID 153297998

IUPAC3-[(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]pyrazine-2,6-diamine
SMILESCOc1cc(Cc2ncc(N)nc2N)cc(OC)c1OCc1ccccc1
InChIInChI=1S/C20H22N4O3/c1-25-16-9-14(8-15-20(22)24-18(21)11-23-15)10-17(26-2)19(16)27-12-13-6-4-3-5-7-13/h3-7,9-11H,8,12H2,1-2H3,(H4,21,22,24)
InChIKeyXOTXQYJEXCLKBA-UHFFFAOYSA-N
MW366.42 g/mol
LogP2.83
Rot. Bonds7

About 3-[(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]pyrazine-2,6-diamine

3-[(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]pyrazine-2,6-diamine (PubChem CID 153297998) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is 3-[(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]pyrazine-2,6-diamine.

Molecular Properties

Compound Name3-[(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]pyrazine-2,6-diamine
PubChem CID153297998
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC Name3-[(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]pyrazine-2,6-diamine
SMILESCOc1cc(Cc2ncc(N)nc2N)cc(OC)c1OCc1ccccc1
InChIInChI=1S/C20H22N4O3/c1-25-16-9-14(8-15-20(22)24-18(21)11-23-15)10-17(26-2)19(16)27-12-13-6-4-3-5-7-13/h3-7,9-11H,8,12H2,1-2H3,(H4,21,22,24)
InChIKeyXOTXQYJEXCLKBA-UHFFFAOYSA-N
XLogP2.83
TPSA105.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-bromo-1,3-dimethoxy-2-phenylmethoxybenzene
CID 71601563
2-N-benzyl-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 23452352
N-(2-aminoethyl)-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 119384512
(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methanamine
CID 43622225
4-chloro-6-methoxy-7-phenylmethoxyquinolin-3-amine;ethane
CID 177004461
2-(1-benzyl-6,7-dimethoxyisoquinolin-4-yl)acetonitrile
CID 141101288
4-phenylmethoxypyridine-2,3,6-triamine;dihydrochloride
CID 131854935
3-(5-formyl-3-methoxy-2-phenylmethoxyphenoxy)-5-methoxy-4-phenylmethoxybenzaldehyde
CID 102236097
(3,5-dimethoxy-4-phenylmethoxyphenoxy)boronic acid
CID 22933086
3-methoxy-5-[(4-methoxyphenyl)methoxy]-4-phenylmethoxybenzamide
CID 126484008
3,5-dimethoxy-N-[2-(4-methoxyphenoxy)ethyl]-4-phenylmethoxybenzamide
CID 41443073
2-(3,5-dimethoxy-4-phenylmethoxyphenyl)-1H-benzimidazole
CID 110535118

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]pyrazine-2,6-diamine?
The IUPAC name of 3-[(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]pyrazine-2,6-diamine (CID 153297998) is 3-[(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]pyrazine-2,6-diamine.
What is the SMILES notation for 3-[(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]pyrazine-2,6-diamine?
The canonical SMILES for 3-[(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]pyrazine-2,6-diamine is COc1cc(Cc2ncc(N)nc2N)cc(OC)c1OCc1ccccc1.
What is the InChIKey of 3-[(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]pyrazine-2,6-diamine?
The InChIKey is XOTXQYJEXCLKBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-25-16-9-14(8-15-20(22)24-18(21)11-23-15)10-17(26-2)19(16)27-12-13-6-4-3-5-7-13/h3-7,9-11H,8,12H2,1-2H3,(H4,21,22,24).
What are the key properties of 3-[(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]pyrazine-2,6-diamine?
3-[(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]pyrazine-2,6-diamine has a molecular weight of 366.42 g/mol, XLogP of 2.83, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]pyrazine-2,6-diamine is sourced from PubChem (CID 153297998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).