5-(2-methoxy-4-propan-2-ylphenyl)-6-methyl-2-N-pentan-3-ylpyrazine-2,3-diamine

C20H30N4O — CID 10020281

IUPAC5-(2-methoxy-4-propan-2-ylphenyl)-6-methyl-2-N-pentan-3-ylpyrazine-2,3-diamine
SMILESCCC(CC)Nc1nc(C)c(-c2ccc(C(C)C)cc2OC)nc1N
InChIInChI=1S/C20H30N4O/c1-7-15(8-2)23-20-19(21)24-18(13(5)22-20)16-10-9-14(12(3)4)11-17(16)25-6/h9-12,15H,7-8H2,1-6H3,(H2,21,24)(H,22,23)
InChIKeyREBBEBQSSHVABU-UHFFFAOYSA-N
MW342.49 g/mol
LogP4.77
Rot. Bonds7

About 5-(2-methoxy-4-propan-2-ylphenyl)-6-methyl-2-N-pentan-3-ylpyrazine-2,3-diamine

5-(2-methoxy-4-propan-2-ylphenyl)-6-methyl-2-N-pentan-3-ylpyrazine-2,3-diamine (PubChem CID 10020281) has the molecular formula C20H30N4O and a molecular weight of 342.49 g/mol. Its IUPAC name is 5-(2-methoxy-4-propan-2-ylphenyl)-6-methyl-2-N-pentan-3-ylpyrazine-2,3-diamine.

Molecular Properties

Compound Name5-(2-methoxy-4-propan-2-ylphenyl)-6-methyl-2-N-pentan-3-ylpyrazine-2,3-diamine
PubChem CID10020281
Molecular FormulaC20H30N4O
Molecular Weight342.49 g/mol
Exact Mass342.24
IUPAC Name5-(2-methoxy-4-propan-2-ylphenyl)-6-methyl-2-N-pentan-3-ylpyrazine-2,3-diamine
SMILESCCC(CC)Nc1nc(C)c(-c2ccc(C(C)C)cc2OC)nc1N
InChIInChI=1S/C20H30N4O/c1-7-15(8-2)23-20-19(21)24-18(13(5)22-20)16-10-9-14(12(3)4)11-17(16)25-6/h9-12,15H,7-8H2,1-6H3,(H2,21,24)(H,22,23)
InChIKeyREBBEBQSSHVABU-UHFFFAOYSA-N
XLogP4.77
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-6-[2-methyl-4-(trifluoromethoxy)phenyl]-3-N-pentan-3-ylpyrazine-2,3-diamine
CID 58804457
3-methoxy-5-[2-methoxy-4-(trifluoromethyl)phenyl]-6-methyl-N-pentan-3-ylpyrazin-2-amine
CID 23595046
3-ethoxy-5-[2-methoxy-4-(trifluoromethoxy)phenyl]-6-methyl-N-pentan-3-ylpyrazin-2-amine
CID 58804534
2-(2-methoxy-4-propan-2-ylphenyl)-4-methyl-1,3-thiazol-5-amine
CID 116864511
5-(2-methoxy-4-propan-2-ylphenyl)-4-methyl-1,3-oxazol-2-amine
CID 116831725
5-[4-(difluoromethyl)-2,6-dimethoxyphenyl]-3-methoxy-6-methyl-N-pentan-3-ylpyrazin-2-amine
CID 23595034
4-(2-methoxy-4-propan-2-ylphenyl)-6-methylpyrimidin-2-amine
CID 82300071
5-[2-(difluoromethyl)-4-(trifluoromethyl)phenyl]-3-methoxy-6-methyl-N-pentan-3-ylpyrazin-2-amine
CID 71168153
4-(2-methoxy-4-propan-2-ylphenyl)imidazole-1,2-diamine
CID 82295339
5-[2-methoxy-4-(trifluoromethoxy)phenyl]-6-methyl-N-pentan-3-ylpyrazin-2-amine
CID 58804425
6-(2-methoxy-5-propan-2-ylphenyl)-3-methyl-1,2,4-triazin-5-amine
CID 116823436
5-(2-methoxy-5-propan-2-ylphenyl)-2,6-dimethylpyrimidin-4-amine
CID 95474423

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxy-4-propan-2-ylphenyl)-6-methyl-2-N-pentan-3-ylpyrazine-2,3-diamine?
The IUPAC name of 5-(2-methoxy-4-propan-2-ylphenyl)-6-methyl-2-N-pentan-3-ylpyrazine-2,3-diamine (CID 10020281) is 5-(2-methoxy-4-propan-2-ylphenyl)-6-methyl-2-N-pentan-3-ylpyrazine-2,3-diamine.
What is the SMILES notation for 5-(2-methoxy-4-propan-2-ylphenyl)-6-methyl-2-N-pentan-3-ylpyrazine-2,3-diamine?
The canonical SMILES for 5-(2-methoxy-4-propan-2-ylphenyl)-6-methyl-2-N-pentan-3-ylpyrazine-2,3-diamine is CCC(CC)Nc1nc(C)c(-c2ccc(C(C)C)cc2OC)nc1N.
What is the InChIKey of 5-(2-methoxy-4-propan-2-ylphenyl)-6-methyl-2-N-pentan-3-ylpyrazine-2,3-diamine?
The InChIKey is REBBEBQSSHVABU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O/c1-7-15(8-2)23-20-19(21)24-18(13(5)22-20)16-10-9-14(12(3)4)11-17(16)25-6/h9-12,15H,7-8H2,1-6H3,(H2,21,24)(H,22,23).
What are the key properties of 5-(2-methoxy-4-propan-2-ylphenyl)-6-methyl-2-N-pentan-3-ylpyrazine-2,3-diamine?
5-(2-methoxy-4-propan-2-ylphenyl)-6-methyl-2-N-pentan-3-ylpyrazine-2,3-diamine has a molecular weight of 342.49 g/mol, XLogP of 4.77, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxy-4-propan-2-ylphenyl)-6-methyl-2-N-pentan-3-ylpyrazine-2,3-diamine is sourced from PubChem (CID 10020281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).