6-tert-butyl-N-[(2,4-dimethoxyphenyl)methyl]pyrazin-2-amine

C17H23N3O2 — CID 118510223

IUPAC6-tert-butyl-N-[(2,4-dimethoxyphenyl)methyl]pyrazin-2-amine
SMILESCOc1ccc(CNc2cncc(C(C)(C)C)n2)c(OC)c1
InChIInChI=1S/C17H23N3O2/c1-17(2,3)15-10-18-11-16(20-15)19-9-12-6-7-13(21-4)8-14(12)22-5/h6-8,10-11H,9H2,1-5H3,(H,19,20)
InChIKeyKKVMZQMONPBKOA-UHFFFAOYSA-N
MW301.39 g/mol
LogP3.40
Rot. Bonds5

About 6-tert-butyl-N-[(2,4-dimethoxyphenyl)methyl]pyrazin-2-amine

6-tert-butyl-N-[(2,4-dimethoxyphenyl)methyl]pyrazin-2-amine (PubChem CID 118510223) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 6-tert-butyl-N-[(2,4-dimethoxyphenyl)methyl]pyrazin-2-amine.

Molecular Properties

Compound Name6-tert-butyl-N-[(2,4-dimethoxyphenyl)methyl]pyrazin-2-amine
PubChem CID118510223
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name6-tert-butyl-N-[(2,4-dimethoxyphenyl)methyl]pyrazin-2-amine
SMILESCOc1ccc(CNc2cncc(C(C)(C)C)n2)c(OC)c1
InChIInChI=1S/C17H23N3O2/c1-17(2,3)15-10-18-11-16(20-15)19-9-12-6-7-13(21-4)8-14(12)22-5/h6-8,10-11H,9H2,1-5H3,(H,19,20)
InChIKeyKKVMZQMONPBKOA-UHFFFAOYSA-N
XLogP3.40
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2,4-dimethoxyphenyl)methyl]pyrazin-2-amine
CID 60966861
N-[(2,4-dimethoxyphenyl)methyl]-6-methylquinoxalin-2-amine
CID 57476570
N-[(2,4-dimethoxyphenyl)methyl]-4-methoxyaniline
CID 11587152
N-[(2,4-dimethoxyphenyl)methyl]pyrimidin-4-amine;ethane
CID 145306239
N-[(2,4-dimethoxyphenyl)methyl]-4,5-diiodopyridin-2-amine
CID 167328439
4-N-[(2,4-dimethoxyphenyl)methyl]-2-(fluoromethyl)pyrimidine-4,6-diamine
CID 169247534
3-(1,1-difluoroethyl)-6-[(2,4-dimethoxyphenyl)methylamino]pyrazine-2-carbaldehyde
CID 178073128
N-[(2,4-dimethoxyphenyl)methyl]-2,4-dimethoxyaniline
CID 39427088
4-N-[(2,4-dimethoxyphenyl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine
CID 80815552
6-[(2,4-dimethoxyphenyl)methylamino]pyridine-2-carbothioamide
CID 64596075
N-[(2,4-dimethoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-amine
CID 63363217
5-bromo-4-N-[(2,4-dimethoxyphenyl)methyl]pyridine-3,4-diamine
CID 103518137

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-N-[(2,4-dimethoxyphenyl)methyl]pyrazin-2-amine?
The IUPAC name of 6-tert-butyl-N-[(2,4-dimethoxyphenyl)methyl]pyrazin-2-amine (CID 118510223) is 6-tert-butyl-N-[(2,4-dimethoxyphenyl)methyl]pyrazin-2-amine.
What is the SMILES notation for 6-tert-butyl-N-[(2,4-dimethoxyphenyl)methyl]pyrazin-2-amine?
The canonical SMILES for 6-tert-butyl-N-[(2,4-dimethoxyphenyl)methyl]pyrazin-2-amine is COc1ccc(CNc2cncc(C(C)(C)C)n2)c(OC)c1.
What is the InChIKey of 6-tert-butyl-N-[(2,4-dimethoxyphenyl)methyl]pyrazin-2-amine?
The InChIKey is KKVMZQMONPBKOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-17(2,3)15-10-18-11-16(20-15)19-9-12-6-7-13(21-4)8-14(12)22-5/h6-8,10-11H,9H2,1-5H3,(H,19,20).
What are the key properties of 6-tert-butyl-N-[(2,4-dimethoxyphenyl)methyl]pyrazin-2-amine?
6-tert-butyl-N-[(2,4-dimethoxyphenyl)methyl]pyrazin-2-amine has a molecular weight of 301.39 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-N-[(2,4-dimethoxyphenyl)methyl]pyrazin-2-amine is sourced from PubChem (CID 118510223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).