4-[methyl-(3-propan-2-yloxypyrazin-2-yl)amino]butan-2-ol

C12H21N3O2 — CID 133455026

IUPAC4-[methyl-(3-propan-2-yloxypyrazin-2-yl)amino]butan-2-ol
SMILESCC(O)CCN(C)c1nccnc1OC(C)C
InChIInChI=1S/C12H21N3O2/c1-9(2)17-12-11(13-6-7-14-12)15(4)8-5-10(3)16/h6-7,9-10,16H,5,8H2,1-4H3
InChIKeySAAVKFDLJBFGGF-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.47
Rot. Bonds6

About 4-[methyl-(3-propan-2-yloxypyrazin-2-yl)amino]butan-2-ol

4-[methyl-(3-propan-2-yloxypyrazin-2-yl)amino]butan-2-ol (PubChem CID 133455026) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 4-[methyl-(3-propan-2-yloxypyrazin-2-yl)amino]butan-2-ol.

Molecular Properties

Compound Name4-[methyl-(3-propan-2-yloxypyrazin-2-yl)amino]butan-2-ol
PubChem CID133455026
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name4-[methyl-(3-propan-2-yloxypyrazin-2-yl)amino]butan-2-ol
SMILESCC(O)CCN(C)c1nccnc1OC(C)C
InChIInChI=1S/C12H21N3O2/c1-9(2)17-12-11(13-6-7-14-12)15(4)8-5-10(3)16/h6-7,9-10,16H,5,8H2,1-4H3
InChIKeySAAVKFDLJBFGGF-UHFFFAOYSA-N
XLogP1.47
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-3-propan-2-yloxy-N-(2-pyridin-4-ylethyl)pyrazin-2-amine
CID 133442931
4-[(3-chloro-2-pyridinyl)-methylamino]butan-2-ol
CID 115689322
4-[methyl(pyridin-4-yl)amino]butan-2-ol
CID 115745235
N-methyl-N-(oxolan-3-ylmethyl)-3-propan-2-yloxypyrazin-2-amine
CID 133455194
4-[(6-methoxyisoquinolin-1-yl)-methylamino]butan-2-ol
CID 106541598
4-[(3,6-dimethylpyrazin-2-yl)-methylamino]butan-2-ol
CID 104695546
1-[[3-(dimethylamino)pyrazin-2-yl]-methylamino]propan-2-ol
CID 91651052
4-[methyl(quinazolin-4-yl)amino]butan-2-ol
CID 115658266
4-[methyl-(6-propan-2-ylpyrimidin-4-yl)amino]butan-2-ol
CID 115658287
4-[methyl-(4-methyl-2-pyridinyl)amino]butan-2-ol
CID 115695412
methyl 4-[3-hydroxybutyl(methyl)amino]-2-methylpyrimidine-5-carboxylate
CID 114214651
N'-(3-methoxypyrazin-2-yl)-N,N'-dimethylethane-1,2-diamine
CID 104514417

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-(3-propan-2-yloxypyrazin-2-yl)amino]butan-2-ol?
The IUPAC name of 4-[methyl-(3-propan-2-yloxypyrazin-2-yl)amino]butan-2-ol (CID 133455026) is 4-[methyl-(3-propan-2-yloxypyrazin-2-yl)amino]butan-2-ol.
What is the SMILES notation for 4-[methyl-(3-propan-2-yloxypyrazin-2-yl)amino]butan-2-ol?
The canonical SMILES for 4-[methyl-(3-propan-2-yloxypyrazin-2-yl)amino]butan-2-ol is CC(O)CCN(C)c1nccnc1OC(C)C.
What is the InChIKey of 4-[methyl-(3-propan-2-yloxypyrazin-2-yl)amino]butan-2-ol?
The InChIKey is SAAVKFDLJBFGGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-9(2)17-12-11(13-6-7-14-12)15(4)8-5-10(3)16/h6-7,9-10,16H,5,8H2,1-4H3.
What are the key properties of 4-[methyl-(3-propan-2-yloxypyrazin-2-yl)amino]butan-2-ol?
4-[methyl-(3-propan-2-yloxypyrazin-2-yl)amino]butan-2-ol has a molecular weight of 239.32 g/mol, XLogP of 1.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-(3-propan-2-yloxypyrazin-2-yl)amino]butan-2-ol is sourced from PubChem (CID 133455026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).