N-ethyl-2-(2-methylpyrimidin-4-yl)oxan-4-amine

C12H19N3O — CID 115529255

IUPACN-ethyl-2-(2-methylpyrimidin-4-yl)oxan-4-amine
SMILESCCNC1CCOC(c2ccnc(C)n2)C1
InChIInChI=1S/C12H19N3O/c1-3-13-10-5-7-16-12(8-10)11-4-6-14-9(2)15-11/h4,6,10,12-13H,3,5,7-8H2,1-2H3
InChIKeyRTEHBQMGNNEQRA-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.61
Rot. Bonds3

About N-ethyl-2-(2-methylpyrimidin-4-yl)oxan-4-amine

N-ethyl-2-(2-methylpyrimidin-4-yl)oxan-4-amine (PubChem CID 115529255) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is N-ethyl-2-(2-methylpyrimidin-4-yl)oxan-4-amine.

Molecular Properties

Compound NameN-ethyl-2-(2-methylpyrimidin-4-yl)oxan-4-amine
PubChem CID115529255
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC NameN-ethyl-2-(2-methylpyrimidin-4-yl)oxan-4-amine
SMILESCCNC1CCOC(c2ccnc(C)n2)C1
InChIInChI=1S/C12H19N3O/c1-3-13-10-5-7-16-12(8-10)11-4-6-14-9(2)15-11/h4,6,10,12-13H,3,5,7-8H2,1-2H3
InChIKeyRTEHBQMGNNEQRA-UHFFFAOYSA-N
XLogP1.61
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2-methylpyrimidin-4-yl)oxan-4-amine?
The IUPAC name of N-ethyl-2-(2-methylpyrimidin-4-yl)oxan-4-amine (CID 115529255) is N-ethyl-2-(2-methylpyrimidin-4-yl)oxan-4-amine.
What is the SMILES notation for N-ethyl-2-(2-methylpyrimidin-4-yl)oxan-4-amine?
The canonical SMILES for N-ethyl-2-(2-methylpyrimidin-4-yl)oxan-4-amine is CCNC1CCOC(c2ccnc(C)n2)C1.
What is the InChIKey of N-ethyl-2-(2-methylpyrimidin-4-yl)oxan-4-amine?
The InChIKey is RTEHBQMGNNEQRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-3-13-10-5-7-16-12(8-10)11-4-6-14-9(2)15-11/h4,6,10,12-13H,3,5,7-8H2,1-2H3.
What are the key properties of N-ethyl-2-(2-methylpyrimidin-4-yl)oxan-4-amine?
N-ethyl-2-(2-methylpyrimidin-4-yl)oxan-4-amine has a molecular weight of 221.30 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2-methylpyrimidin-4-yl)oxan-4-amine is sourced from PubChem (CID 115529255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).