1-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]cyclohexane-1-carboxylic acid

C14H21N3O2 — CID 113309667

IUPAC1-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]cyclohexane-1-carboxylic acid
SMILESCc1cnc(C)c(NCC2(C(=O)O)CCCCC2)n1
InChIInChI=1S/C14H21N3O2/c1-10-8-15-11(2)12(17-10)16-9-14(13(18)19)6-4-3-5-7-14/h8H,3-7,9H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyURZDDNOKFJFMGM-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.54
Rot. Bonds4

About 1-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]cyclohexane-1-carboxylic acid

1-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]cyclohexane-1-carboxylic acid (PubChem CID 113309667) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]cyclohexane-1-carboxylic acid
PubChem CID113309667
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name1-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]cyclohexane-1-carboxylic acid
SMILESCc1cnc(C)c(NCC2(C(=O)O)CCCCC2)n1
InChIInChI=1S/C14H21N3O2/c1-10-8-15-11(2)12(17-10)16-9-14(13(18)19)6-4-3-5-7-14/h8H,3-7,9H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyURZDDNOKFJFMGM-UHFFFAOYSA-N
XLogP2.54
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[(5,6-dimethylpyrazin-2-yl)amino]methyl]cycloheptane-1-carboxylic acid
CID 114474633
1-[[(2,5-dimethylpyrimidin-4-yl)amino]methyl]cyclobutane-1-carboxylic acid
CID 166243260
1-[[(3-cyano-4,6-dimethyl-2-pyridinyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 113311074
1-[[(4-methyl-1,3-thiazol-2-yl)amino]methyl]cyclopentane-1-carboxylic acid
CID 115433243
1-[[(4,5-dimethyl-1,3-thiazol-2-yl)amino]methyl]cyclohexane-1-carboxylic acid
CID 115436140
1-[[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopentane-1-carboxylic acid
CID 115433384
N-[[1-(aminomethyl)cyclopropyl]methyl]-3,6-dimethylpyrazin-2-amine
CID 115457058
3,6-dimethyl-N-[(2-methylthiolan-2-yl)methyl]pyrazin-2-amine
CID 80725115
1-[(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)methyl]cycloheptane-1-carboxylic acid
CID 115443605
1-[[(6-propoxypyrazin-2-yl)amino]methyl]cyclohexane-1-carboxylic acid
CID 115436121
1-[[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]methyl]cyclohexane-1-carboxylic acid
CID 136972244
1-[[(6-methyl-3-nitro-2-pyridinyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 113312206

Frequently Asked Questions

What is the IUPAC name of 1-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]cyclohexane-1-carboxylic acid (CID 113309667) is 1-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]cyclohexane-1-carboxylic acid is Cc1cnc(C)c(NCC2(C(=O)O)CCCCC2)n1.
What is the InChIKey of 1-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]cyclohexane-1-carboxylic acid?
The InChIKey is URZDDNOKFJFMGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-10-8-15-11(2)12(17-10)16-9-14(13(18)19)6-4-3-5-7-14/h8H,3-7,9H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 1-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]cyclohexane-1-carboxylic acid?
1-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]cyclohexane-1-carboxylic acid has a molecular weight of 263.34 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 113309667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).