N-ethyl-5-methyl-4-octan-2-yloxypyrimidin-2-amine

C15H27N3O — CID 80861672

IUPACN-ethyl-5-methyl-4-octan-2-yloxypyrimidin-2-amine
SMILESCCCCCCC(C)Oc1nc(NCC)ncc1C
InChIInChI=1S/C15H27N3O/c1-5-7-8-9-10-13(4)19-14-12(3)11-17-15(18-14)16-6-2/h11,13H,5-10H2,1-4H3,(H,16,17,18)
InChIKeyIQGYHGRXJSDMOH-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.95
Rot. Bonds9

About N-ethyl-5-methyl-4-octan-2-yloxypyrimidin-2-amine

N-ethyl-5-methyl-4-octan-2-yloxypyrimidin-2-amine (PubChem CID 80861672) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is N-ethyl-5-methyl-4-octan-2-yloxypyrimidin-2-amine.

Molecular Properties

Compound NameN-ethyl-5-methyl-4-octan-2-yloxypyrimidin-2-amine
PubChem CID80861672
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC NameN-ethyl-5-methyl-4-octan-2-yloxypyrimidin-2-amine
SMILESCCCCCCC(C)Oc1nc(NCC)ncc1C
InChIInChI=1S/C15H27N3O/c1-5-7-8-9-10-13(4)19-14-12(3)11-17-15(18-14)16-6-2/h11,13H,5-10H2,1-4H3,(H,16,17,18)
InChIKeyIQGYHGRXJSDMOH-UHFFFAOYSA-N
XLogP3.95
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.95
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 N-ethyl-5-methyl-4-octan-2-yloxypyrimidin-2-amine?
The IUPAC name of N-ethyl-5-methyl-4-octan-2-yloxypyrimidin-2-amine (CID 80861672) is N-ethyl-5-methyl-4-octan-2-yloxypyrimidin-2-amine.
What is the SMILES notation for N-ethyl-5-methyl-4-octan-2-yloxypyrimidin-2-amine?
The canonical SMILES for N-ethyl-5-methyl-4-octan-2-yloxypyrimidin-2-amine is CCCCCCC(C)Oc1nc(NCC)ncc1C.
What is the InChIKey of N-ethyl-5-methyl-4-octan-2-yloxypyrimidin-2-amine?
The InChIKey is IQGYHGRXJSDMOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-5-7-8-9-10-13(4)19-14-12(3)11-17-15(18-14)16-6-2/h11,13H,5-10H2,1-4H3,(H,16,17,18).
What are the key properties of N-ethyl-5-methyl-4-octan-2-yloxypyrimidin-2-amine?
N-ethyl-5-methyl-4-octan-2-yloxypyrimidin-2-amine has a molecular weight of 265.40 g/mol, XLogP of 3.95, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-methyl-4-octan-2-yloxypyrimidin-2-amine is sourced from PubChem (CID 80861672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).