1-[4-(2-methylpyrimidin-5-yl)oxan-4-yl]ethanamine

C12H19N3O — CID 86716218

IUPAC1-[4-(2-methylpyrimidin-5-yl)oxan-4-yl]ethanamine
SMILESCc1ncc(C2(C(C)N)CCOCC2)cn1
InChIInChI=1S/C12H19N3O/c1-9(13)12(3-5-16-6-4-12)11-7-14-10(2)15-8-11/h7-9H,3-6,13H2,1-2H3
InChIKeyPQVYUBVFLCQEAU-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.18
Rot. Bonds2

About 1-[4-(2-methylpyrimidin-5-yl)oxan-4-yl]ethanamine

1-[4-(2-methylpyrimidin-5-yl)oxan-4-yl]ethanamine (PubChem CID 86716218) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-[4-(2-methylpyrimidin-5-yl)oxan-4-yl]ethanamine.

Molecular Properties

Compound Name1-[4-(2-methylpyrimidin-5-yl)oxan-4-yl]ethanamine
PubChem CID86716218
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name1-[4-(2-methylpyrimidin-5-yl)oxan-4-yl]ethanamine
SMILESCc1ncc(C2(C(C)N)CCOCC2)cn1
InChIInChI=1S/C12H19N3O/c1-9(13)12(3-5-16-6-4-12)11-7-14-10(2)15-8-11/h7-9H,3-6,13H2,1-2H3
InChIKeyPQVYUBVFLCQEAU-UHFFFAOYSA-N
XLogP1.18
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methylpyrimidin-5-yl)oxan-4-yl]ethanamine?
The IUPAC name of 1-[4-(2-methylpyrimidin-5-yl)oxan-4-yl]ethanamine (CID 86716218) is 1-[4-(2-methylpyrimidin-5-yl)oxan-4-yl]ethanamine.
What is the SMILES notation for 1-[4-(2-methylpyrimidin-5-yl)oxan-4-yl]ethanamine?
The canonical SMILES for 1-[4-(2-methylpyrimidin-5-yl)oxan-4-yl]ethanamine is Cc1ncc(C2(C(C)N)CCOCC2)cn1.
What is the InChIKey of 1-[4-(2-methylpyrimidin-5-yl)oxan-4-yl]ethanamine?
The InChIKey is PQVYUBVFLCQEAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-9(13)12(3-5-16-6-4-12)11-7-14-10(2)15-8-11/h7-9H,3-6,13H2,1-2H3.
What are the key properties of 1-[4-(2-methylpyrimidin-5-yl)oxan-4-yl]ethanamine?
1-[4-(2-methylpyrimidin-5-yl)oxan-4-yl]ethanamine has a molecular weight of 221.30 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methylpyrimidin-5-yl)oxan-4-yl]ethanamine is sourced from PubChem (CID 86716218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).