N-butyl-N-ethyl-4-methoxypyrimidin-2-amine

C11H19N3O — CID 78818754

IUPACN-butyl-N-ethyl-4-methoxypyrimidin-2-amine
SMILESCCCCN(CC)c1nccc(OC)n1
InChIInChI=1S/C11H19N3O/c1-4-6-9-14(5-2)11-12-8-7-10(13-11)15-3/h7-8H,4-6,9H2,1-3H3
InChIKeyHIHBRUOYTKQHDQ-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.11
Rot. Bonds6

About N-butyl-N-ethyl-4-methoxypyrimidin-2-amine

N-butyl-N-ethyl-4-methoxypyrimidin-2-amine (PubChem CID 78818754) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is N-butyl-N-ethyl-4-methoxypyrimidin-2-amine.

Molecular Properties

Compound NameN-butyl-N-ethyl-4-methoxypyrimidin-2-amine
PubChem CID78818754
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC NameN-butyl-N-ethyl-4-methoxypyrimidin-2-amine
SMILESCCCCN(CC)c1nccc(OC)n1
InChIInChI=1S/C11H19N3O/c1-4-6-9-14(5-2)11-12-8-7-10(13-11)15-3/h7-8H,4-6,9H2,1-3H3
InChIKeyHIHBRUOYTKQHDQ-UHFFFAOYSA-N
XLogP2.11
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-ethyl-4-methoxypyrimidin-2-amine?
The IUPAC name of N-butyl-N-ethyl-4-methoxypyrimidin-2-amine (CID 78818754) is N-butyl-N-ethyl-4-methoxypyrimidin-2-amine.
What is the SMILES notation for N-butyl-N-ethyl-4-methoxypyrimidin-2-amine?
The canonical SMILES for N-butyl-N-ethyl-4-methoxypyrimidin-2-amine is CCCCN(CC)c1nccc(OC)n1.
What is the InChIKey of N-butyl-N-ethyl-4-methoxypyrimidin-2-amine?
The InChIKey is HIHBRUOYTKQHDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-4-6-9-14(5-2)11-12-8-7-10(13-11)15-3/h7-8H,4-6,9H2,1-3H3.
What are the key properties of N-butyl-N-ethyl-4-methoxypyrimidin-2-amine?
N-butyl-N-ethyl-4-methoxypyrimidin-2-amine has a molecular weight of 209.29 g/mol, XLogP of 2.11, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-ethyl-4-methoxypyrimidin-2-amine is sourced from PubChem (CID 78818754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).