2,5-dimethyl-3-(3-propan-2-yloxyphenyl)pyrazine

C15H18N2O — CID 56719109

IUPAC2,5-dimethyl-3-(3-propan-2-yloxyphenyl)pyrazine
SMILESCc1cnc(C)c(-c2cccc(OC(C)C)c2)n1
InChIInChI=1S/C15H18N2O/c1-10(2)18-14-7-5-6-13(8-14)15-12(4)16-9-11(3)17-15/h5-10H,1-4H3
InChIKeyNCVCBENOYSJILD-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.55
Rot. Bonds3

About 2,5-dimethyl-3-(3-propan-2-yloxyphenyl)pyrazine

2,5-dimethyl-3-(3-propan-2-yloxyphenyl)pyrazine (PubChem CID 56719109) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 2,5-dimethyl-3-(3-propan-2-yloxyphenyl)pyrazine.

Molecular Properties

Compound Name2,5-dimethyl-3-(3-propan-2-yloxyphenyl)pyrazine
PubChem CID56719109
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name2,5-dimethyl-3-(3-propan-2-yloxyphenyl)pyrazine
SMILESCc1cnc(C)c(-c2cccc(OC(C)C)c2)n1
InChIInChI=1S/C15H18N2O/c1-10(2)18-14-7-5-6-13(8-14)15-12(4)16-9-11(3)17-15/h5-10H,1-4H3
InChIKeyNCVCBENOYSJILD-UHFFFAOYSA-N
XLogP3.55
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-cyclopropyl-5-methyl-6-(3-propan-2-yloxyphenyl)pyrimidine
CID 80970542
4-(3-propan-2-yloxyphenyl)benzenethiol
CID 91656133
2-(3-propan-2-yloxyphenyl)pyridine
CID 70320352
4-chloro-6-methyl-5-propan-2-yl-2-(3-propan-2-yloxyphenyl)pyrimidine
CID 63405768
4-chloro-5-iodo-6-methyl-2-(3-propan-2-yloxyphenyl)pyrimidine
CID 66313598
5-bromo-4-chloro-2-(3-propan-2-yloxyphenyl)pyrimidine
CID 66314230
5-bromo-2-(3-propan-2-yloxyphenyl)pyrimidin-4-amine
CID 66296825
2-ethyl-5-methyl-4-(3-propan-2-yloxyphenyl)-1H-pyrimidin-6-one
CID 136769566
4,6-dichloro-5-iodo-2-(3-propan-2-yloxyphenyl)pyrimidine
CID 66311636
3-ethyl-1-methyl-5-(3-propan-2-yloxyphenyl)-1,2,4-triazole
CID 121495560
5,6-dimethyl-2-(3-propan-2-yloxyphenyl)-1H-benzimidazole
CID 63399466
4-methyl-5-(3-propan-2-yloxyphenyl)-1,2,3,6-tetrahydropyridine
CID 114270095

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-3-(3-propan-2-yloxyphenyl)pyrazine?
The IUPAC name of 2,5-dimethyl-3-(3-propan-2-yloxyphenyl)pyrazine (CID 56719109) is 2,5-dimethyl-3-(3-propan-2-yloxyphenyl)pyrazine.
What is the SMILES notation for 2,5-dimethyl-3-(3-propan-2-yloxyphenyl)pyrazine?
The canonical SMILES for 2,5-dimethyl-3-(3-propan-2-yloxyphenyl)pyrazine is Cc1cnc(C)c(-c2cccc(OC(C)C)c2)n1.
What is the InChIKey of 2,5-dimethyl-3-(3-propan-2-yloxyphenyl)pyrazine?
The InChIKey is NCVCBENOYSJILD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-10(2)18-14-7-5-6-13(8-14)15-12(4)16-9-11(3)17-15/h5-10H,1-4H3.
What are the key properties of 2,5-dimethyl-3-(3-propan-2-yloxyphenyl)pyrazine?
2,5-dimethyl-3-(3-propan-2-yloxyphenyl)pyrazine has a molecular weight of 242.32 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-3-(3-propan-2-yloxyphenyl)pyrazine is sourced from PubChem (CID 56719109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).