(4-tert-butyl-2,6-dimethylphenyl)methyl 5-methylpyrazine-2-carboxylate

C19H24N2O2 — CID 2498122

IUPAC(4-tert-butyl-2,6-dimethylphenyl)methyl 5-methylpyrazine-2-carboxylate
SMILESCc1cnc(C(=O)OCc2c(C)cc(C(C)(C)C)cc2C)cn1
InChIInChI=1S/C19H24N2O2/c1-12-7-15(19(4,5)6)8-13(2)16(12)11-23-18(22)17-10-20-14(3)9-21-17/h7-10H,11H2,1-6H3
InChIKeyTXPAYJRDZUJOFU-UHFFFAOYSA-N
MW312.41 g/mol
LogP4.06
Rot. Bonds3

About (4-tert-butyl-2,6-dimethylphenyl)methyl 5-methylpyrazine-2-carboxylate

(4-tert-butyl-2,6-dimethylphenyl)methyl 5-methylpyrazine-2-carboxylate (PubChem CID 2498122) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is (4-tert-butyl-2,6-dimethylphenyl)methyl 5-methylpyrazine-2-carboxylate.

Molecular Properties

Compound Name(4-tert-butyl-2,6-dimethylphenyl)methyl 5-methylpyrazine-2-carboxylate
PubChem CID2498122
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name(4-tert-butyl-2,6-dimethylphenyl)methyl 5-methylpyrazine-2-carboxylate
SMILESCc1cnc(C(=O)OCc2c(C)cc(C(C)(C)C)cc2C)cn1
InChIInChI=1S/C19H24N2O2/c1-12-7-15(19(4,5)6)8-13(2)16(12)11-23-18(22)17-10-20-14(3)9-21-17/h7-10H,11H2,1-6H3
InChIKeyTXPAYJRDZUJOFU-UHFFFAOYSA-N
XLogP4.06
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2,3,6-Trimethylphenyl) 5-methylpyrazine-2-carboxylate
CID 2446375
2-(Naphthalen-1-yl)-2-oxoethyl 5-methylpyrazine-2-carboxylate
CID 24687449
2-(3,4-Dimethylphenyl)-2-oxoethyl pyrazine-2-carboxylate
CID 761855
2-Oxo-2-(5,6,7,8-tetrahydro-2-naphthalenyl)ethyl 2-pyrazinecarboxylate
CID 653324
[2-(4-Ethylphenyl)-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 2430350
2-(4-Methylphenyl)-2-oxoethyl pyrazine-2-carboxylate
CID 882309
4-(Isopropoxycarbonyl)benzyl 2-pyrazinecarboxylate
CID 976277
2-(Naphthalen-2-yl)-2-oxoethyl pyrazine-2-carboxylate
CID 887578
2-(4-Methylphenyl)-2-oxo-1-phenylethyl 2-pyrazinecarboxylate
CID 2926481
2-(3,4-Dimethylphenyl)-2-oxo-1-phenylethyl 2-pyrazinecarboxylate
CID 2934597
4-(Methoxycarbonyl)benzyl 2-pyrazinecarboxylate
CID 895194
Pyrazine-2-carboxylic acid 2-(4-cyclohexyl-phenyl)-2-oxo-ethyl ester
CID 1072460

Frequently Asked Questions

What is the IUPAC name of (4-tert-butyl-2,6-dimethylphenyl)methyl 5-methylpyrazine-2-carboxylate?
The IUPAC name of (4-tert-butyl-2,6-dimethylphenyl)methyl 5-methylpyrazine-2-carboxylate (CID 2498122) is (4-tert-butyl-2,6-dimethylphenyl)methyl 5-methylpyrazine-2-carboxylate.
What is the SMILES notation for (4-tert-butyl-2,6-dimethylphenyl)methyl 5-methylpyrazine-2-carboxylate?
The canonical SMILES for (4-tert-butyl-2,6-dimethylphenyl)methyl 5-methylpyrazine-2-carboxylate is Cc1cnc(C(=O)OCc2c(C)cc(C(C)(C)C)cc2C)cn1.
What is the InChIKey of (4-tert-butyl-2,6-dimethylphenyl)methyl 5-methylpyrazine-2-carboxylate?
The InChIKey is TXPAYJRDZUJOFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-12-7-15(19(4,5)6)8-13(2)16(12)11-23-18(22)17-10-20-14(3)9-21-17/h7-10H,11H2,1-6H3.
What are the key properties of (4-tert-butyl-2,6-dimethylphenyl)methyl 5-methylpyrazine-2-carboxylate?
(4-tert-butyl-2,6-dimethylphenyl)methyl 5-methylpyrazine-2-carboxylate has a molecular weight of 312.41 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butyl-2,6-dimethylphenyl)methyl 5-methylpyrazine-2-carboxylate is sourced from PubChem (CID 2498122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).