1-[(3,6-dimethylpyrazin-2-yl)amino]-4,4-dimethylpentan-2-ol

C13H23N3O — CID 104695495

IUPAC1-[(3,6-dimethylpyrazin-2-yl)amino]-4,4-dimethylpentan-2-ol
SMILESCc1cnc(C)c(NCC(O)CC(C)(C)C)n1
InChIInChI=1S/C13H23N3O/c1-9-7-14-10(2)12(16-9)15-8-11(17)6-13(3,4)5/h7,11,17H,6,8H2,1-5H3,(H,15,16)
InChIKeyNMGRNYFEFQSVHC-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.30
Rot. Bonds4

About 1-[(3,6-dimethylpyrazin-2-yl)amino]-4,4-dimethylpentan-2-ol

1-[(3,6-dimethylpyrazin-2-yl)amino]-4,4-dimethylpentan-2-ol (PubChem CID 104695495) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 1-[(3,6-dimethylpyrazin-2-yl)amino]-4,4-dimethylpentan-2-ol.

Molecular Properties

Compound Name1-[(3,6-dimethylpyrazin-2-yl)amino]-4,4-dimethylpentan-2-ol
PubChem CID104695495
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name1-[(3,6-dimethylpyrazin-2-yl)amino]-4,4-dimethylpentan-2-ol
SMILESCc1cnc(C)c(NCC(O)CC(C)(C)C)n1
InChIInChI=1S/C13H23N3O/c1-9-7-14-10(2)12(16-9)15-8-11(17)6-13(3,4)5/h7,11,17H,6,8H2,1-5H3,(H,15,16)
InChIKeyNMGRNYFEFQSVHC-UHFFFAOYSA-N
XLogP2.30
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,6-dimethylpyrazin-2-yl)amino]-4,4-dimethylpentan-2-ol?
The IUPAC name of 1-[(3,6-dimethylpyrazin-2-yl)amino]-4,4-dimethylpentan-2-ol (CID 104695495) is 1-[(3,6-dimethylpyrazin-2-yl)amino]-4,4-dimethylpentan-2-ol.
What is the SMILES notation for 1-[(3,6-dimethylpyrazin-2-yl)amino]-4,4-dimethylpentan-2-ol?
The canonical SMILES for 1-[(3,6-dimethylpyrazin-2-yl)amino]-4,4-dimethylpentan-2-ol is Cc1cnc(C)c(NCC(O)CC(C)(C)C)n1.
What is the InChIKey of 1-[(3,6-dimethylpyrazin-2-yl)amino]-4,4-dimethylpentan-2-ol?
The InChIKey is NMGRNYFEFQSVHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-9-7-14-10(2)12(16-9)15-8-11(17)6-13(3,4)5/h7,11,17H,6,8H2,1-5H3,(H,15,16).
What are the key properties of 1-[(3,6-dimethylpyrazin-2-yl)amino]-4,4-dimethylpentan-2-ol?
1-[(3,6-dimethylpyrazin-2-yl)amino]-4,4-dimethylpentan-2-ol has a molecular weight of 237.35 g/mol, XLogP of 2.30, 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]-4,4-dimethylpentan-2-ol is sourced from PubChem (CID 104695495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).