3-methoxy-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyrazin-2-amine

C14H21N5O — CID 134713687

IUPAC3-methoxy-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyrazin-2-amine
SMILESCOc1nccnc1NCCCn1ccnc1C(C)C
InChIInChI=1S/C14H21N5O/c1-11(2)13-17-8-10-19(13)9-4-5-15-12-14(20-3)18-7-6-16-12/h6-8,10-11H,4-5,9H2,1-3H3,(H,15,16)
InChIKeySAJAFUPCUGCZBI-UHFFFAOYSA-N
MW275.36 g/mol
LogP2.31
Rot. Bonds7

About 3-methoxy-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyrazin-2-amine

3-methoxy-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyrazin-2-amine (PubChem CID 134713687) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is 3-methoxy-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyrazin-2-amine.

Molecular Properties

Compound Name3-methoxy-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyrazin-2-amine
PubChem CID134713687
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name3-methoxy-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyrazin-2-amine
SMILESCOc1nccnc1NCCCn1ccnc1C(C)C
InChIInChI=1S/C14H21N5O/c1-11(2)13-17-8-10-19(13)9-4-5-15-12-14(20-3)18-7-6-16-12/h6-8,10-11H,4-5,9H2,1-3H3,(H,15,16)
InChIKeySAJAFUPCUGCZBI-UHFFFAOYSA-N
XLogP2.31
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyrazin-2-amine?
The IUPAC name of 3-methoxy-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyrazin-2-amine (CID 134713687) is 3-methoxy-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyrazin-2-amine.
What is the SMILES notation for 3-methoxy-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyrazin-2-amine?
The canonical SMILES for 3-methoxy-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyrazin-2-amine is COc1nccnc1NCCCn1ccnc1C(C)C.
What is the InChIKey of 3-methoxy-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyrazin-2-amine?
The InChIKey is SAJAFUPCUGCZBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-11(2)13-17-8-10-19(13)9-4-5-15-12-14(20-3)18-7-6-16-12/h6-8,10-11H,4-5,9H2,1-3H3,(H,15,16).
What are the key properties of 3-methoxy-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyrazin-2-amine?
3-methoxy-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyrazin-2-amine has a molecular weight of 275.36 g/mol, XLogP of 2.31, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyrazin-2-amine is sourced from PubChem (CID 134713687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).