2-[1-[(6-propan-2-yloxypyrazin-2-yl)amino]cyclohexyl]acetic acid

C15H23N3O3 — CID 64701576

IUPAC2-[1-[(6-propan-2-yloxypyrazin-2-yl)amino]cyclohexyl]acetic acid
SMILESCC(C)Oc1cncc(NC2(CC(=O)O)CCCCC2)n1
InChIInChI=1S/C15H23N3O3/c1-11(2)21-13-10-16-9-12(17-13)18-15(8-14(19)20)6-4-3-5-7-15/h9-11H,3-8H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyBUBZHBWZPVKKPC-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.85
Rot. Bonds6

About 2-[1-[(6-propan-2-yloxypyrazin-2-yl)amino]cyclohexyl]acetic acid

2-[1-[(6-propan-2-yloxypyrazin-2-yl)amino]cyclohexyl]acetic acid (PubChem CID 64701576) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-[1-[(6-propan-2-yloxypyrazin-2-yl)amino]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(6-propan-2-yloxypyrazin-2-yl)amino]cyclohexyl]acetic acid
PubChem CID64701576
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name2-[1-[(6-propan-2-yloxypyrazin-2-yl)amino]cyclohexyl]acetic acid
SMILESCC(C)Oc1cncc(NC2(CC(=O)O)CCCCC2)n1
InChIInChI=1S/C15H23N3O3/c1-11(2)21-13-10-16-9-12(17-13)18-15(8-14(19)20)6-4-3-5-7-15/h9-11H,3-8H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyBUBZHBWZPVKKPC-UHFFFAOYSA-N
XLogP2.85
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[(6-ethoxypyrazin-2-yl)amino]cyclohexyl]acetic acid
CID 64701575
2-[1-(pyrazin-2-ylamino)cyclohexyl]acetic acid
CID 64701383
ethane;2-methyl-N-(6-propan-2-yloxypyrazin-2-yl)propanamide
CID 145083687
2-methyl-4-[(6-propan-2-yloxypyrazin-2-yl)amino]butanoic acid
CID 80539579
3-methyl-2-[[(6-propan-2-yloxypyrazin-2-yl)amino]methyl]butanoic acid
CID 65226992
2-[1-[(2-methoxycarbonyl-6-methylpyrimidin-4-yl)amino]cyclopentyl]acetic acid
CID 66286602
2-[1-[[(6-propoxypyrazin-2-yl)amino]methyl]cyclobutyl]acetic acid
CID 81162308
6-propan-2-yloxypyrazine-2-carboxylic acid
CID 65440453
2-[1-(pyridin-4-ylamino)cyclopentyl]acetic acid
CID 64701158
2-[1-(pyrimidin-2-ylamino)cyclohexyl]acetic acid
CID 64701184
[1-[(6-hydrazinylpyrazin-2-yl)amino]cyclopentyl]methanol
CID 80919449
3-methyl-4-[(6-propan-2-yloxypyrazin-2-yl)amino]butan-1-ol
CID 133484788

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(6-propan-2-yloxypyrazin-2-yl)amino]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[(6-propan-2-yloxypyrazin-2-yl)amino]cyclohexyl]acetic acid (CID 64701576) is 2-[1-[(6-propan-2-yloxypyrazin-2-yl)amino]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[(6-propan-2-yloxypyrazin-2-yl)amino]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[(6-propan-2-yloxypyrazin-2-yl)amino]cyclohexyl]acetic acid is CC(C)Oc1cncc(NC2(CC(=O)O)CCCCC2)n1.
What is the InChIKey of 2-[1-[(6-propan-2-yloxypyrazin-2-yl)amino]cyclohexyl]acetic acid?
The InChIKey is BUBZHBWZPVKKPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-11(2)21-13-10-16-9-12(17-13)18-15(8-14(19)20)6-4-3-5-7-15/h9-11H,3-8H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 2-[1-[(6-propan-2-yloxypyrazin-2-yl)amino]cyclohexyl]acetic acid?
2-[1-[(6-propan-2-yloxypyrazin-2-yl)amino]cyclohexyl]acetic acid has a molecular weight of 293.37 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(6-propan-2-yloxypyrazin-2-yl)amino]cyclohexyl]acetic acid is sourced from PubChem (CID 64701576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).