6-(2-methylimidazol-1-yl)-N-[(2-propan-2-yloxynaphthalen-1-yl)methyl]pyrazin-2-amine

C22H23N5O — CID 133477792

IUPAC6-(2-methylimidazol-1-yl)-N-[(2-propan-2-yloxynaphthalen-1-yl)methyl]pyrazin-2-amine
SMILESCc1nccn1-c1cncc(NCc2c(OC(C)C)ccc3ccccc23)n1
InChIInChI=1S/C22H23N5O/c1-15(2)28-20-9-8-17-6-4-5-7-18(17)19(20)12-25-21-13-23-14-22(26-21)27-11-10-24-16(27)3/h4-11,13-15H,12H2,1-3H3,(H,25,26)
InChIKeyRHKMGVOGGCUPCI-UHFFFAOYSA-N
MW373.46 g/mol
LogP4.52
Rot. Bonds6

About 6-(2-methylimidazol-1-yl)-N-[(2-propan-2-yloxynaphthalen-1-yl)methyl]pyrazin-2-amine

6-(2-methylimidazol-1-yl)-N-[(2-propan-2-yloxynaphthalen-1-yl)methyl]pyrazin-2-amine (PubChem CID 133477792) has the molecular formula C22H23N5O and a molecular weight of 373.46 g/mol. Its IUPAC name is 6-(2-methylimidazol-1-yl)-N-[(2-propan-2-yloxynaphthalen-1-yl)methyl]pyrazin-2-amine.

Molecular Properties

Compound Name6-(2-methylimidazol-1-yl)-N-[(2-propan-2-yloxynaphthalen-1-yl)methyl]pyrazin-2-amine
PubChem CID133477792
Molecular FormulaC22H23N5O
Molecular Weight373.46 g/mol
Exact Mass373.19
IUPAC Name6-(2-methylimidazol-1-yl)-N-[(2-propan-2-yloxynaphthalen-1-yl)methyl]pyrazin-2-amine
SMILESCc1nccn1-c1cncc(NCc2c(OC(C)C)ccc3ccccc23)n1
InChIInChI=1S/C22H23N5O/c1-15(2)28-20-9-8-17-6-4-5-7-18(17)19(20)12-25-21-13-23-14-22(26-21)27-11-10-24-16(27)3/h4-11,13-15H,12H2,1-3H3,(H,25,26)
InChIKeyRHKMGVOGGCUPCI-UHFFFAOYSA-N
XLogP4.52
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methylimidazol-1-yl)-N-[(2-propan-2-yloxynaphthalen-1-yl)methyl]pyrazin-2-amine?
The IUPAC name of 6-(2-methylimidazol-1-yl)-N-[(2-propan-2-yloxynaphthalen-1-yl)methyl]pyrazin-2-amine (CID 133477792) is 6-(2-methylimidazol-1-yl)-N-[(2-propan-2-yloxynaphthalen-1-yl)methyl]pyrazin-2-amine.
What is the SMILES notation for 6-(2-methylimidazol-1-yl)-N-[(2-propan-2-yloxynaphthalen-1-yl)methyl]pyrazin-2-amine?
The canonical SMILES for 6-(2-methylimidazol-1-yl)-N-[(2-propan-2-yloxynaphthalen-1-yl)methyl]pyrazin-2-amine is Cc1nccn1-c1cncc(NCc2c(OC(C)C)ccc3ccccc23)n1.
What is the InChIKey of 6-(2-methylimidazol-1-yl)-N-[(2-propan-2-yloxynaphthalen-1-yl)methyl]pyrazin-2-amine?
The InChIKey is RHKMGVOGGCUPCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O/c1-15(2)28-20-9-8-17-6-4-5-7-18(17)19(20)12-25-21-13-23-14-22(26-21)27-11-10-24-16(27)3/h4-11,13-15H,12H2,1-3H3,(H,25,26).
What are the key properties of 6-(2-methylimidazol-1-yl)-N-[(2-propan-2-yloxynaphthalen-1-yl)methyl]pyrazin-2-amine?
6-(2-methylimidazol-1-yl)-N-[(2-propan-2-yloxynaphthalen-1-yl)methyl]pyrazin-2-amine has a molecular weight of 373.46 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylimidazol-1-yl)-N-[(2-propan-2-yloxynaphthalen-1-yl)methyl]pyrazin-2-amine is sourced from PubChem (CID 133477792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).