2-octoxypyrimidin-5-amine

C12H21N3O — CID 61145971

IUPAC2-octoxypyrimidin-5-amine
SMILESCCCCCCCCOc1ncc(N)cn1
InChIInChI=1S/C12H21N3O/c1-2-3-4-5-6-7-8-16-12-14-9-11(13)10-15-12/h9-10H,2-8,13H2,1H3
InChIKeyMXVHYKXYCDGTTK-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.80
Rot. Bonds8

About 2-octoxypyrimidin-5-amine

2-octoxypyrimidin-5-amine (PubChem CID 61145971) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-octoxypyrimidin-5-amine.

Molecular Properties

Compound Name2-octoxypyrimidin-5-amine
PubChem CID61145971
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name2-octoxypyrimidin-5-amine
SMILESCCCCCCCCOc1ncc(N)cn1
InChIInChI=1S/C12H21N3O/c1-2-3-4-5-6-7-8-16-12-14-9-11(13)10-15-12/h9-10H,2-8,13H2,1H3
InChIKeyMXVHYKXYCDGTTK-UHFFFAOYSA-N
XLogP2.80
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 2-octoxypyrimidin-5-amine?
The IUPAC name of 2-octoxypyrimidin-5-amine (CID 61145971) is 2-octoxypyrimidin-5-amine.
What is the SMILES notation for 2-octoxypyrimidin-5-amine?
The canonical SMILES for 2-octoxypyrimidin-5-amine is CCCCCCCCOc1ncc(N)cn1.
What is the InChIKey of 2-octoxypyrimidin-5-amine?
The InChIKey is MXVHYKXYCDGTTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-2-3-4-5-6-7-8-16-12-14-9-11(13)10-15-12/h9-10H,2-8,13H2,1H3.
What are the key properties of 2-octoxypyrimidin-5-amine?
2-octoxypyrimidin-5-amine has a molecular weight of 223.32 g/mol, XLogP of 2.80, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-octoxypyrimidin-5-amine is sourced from PubChem (CID 61145971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).