3-[5-(2-aminoethyl)-6-ethyl-2-methylpyrimidin-4-yl]oxypentan-2-ol;ethane

C16H31N3O2 — CID 143219245

IUPAC3-[5-(2-aminoethyl)-6-ethyl-2-methylpyrimidin-4-yl]oxypentan-2-ol;ethane
SMILESCC.CCc1nc(C)nc(OC(CC)C(C)O)c1CCN
InChIInChI=1S/C14H25N3O2.C2H6/c1-5-12-11(7-8-15)14(17-10(4)16-12)19-13(6-2)9(3)18;1-2/h9,13,18H,5-8,15H2,1-4H3;1-2H3
InChIKeyRLVZBWIPLKBWCZ-UHFFFAOYSA-N
MW297.44 g/mol
LogP2.41
Rot. Bonds7

About 3-[5-(2-aminoethyl)-6-ethyl-2-methylpyrimidin-4-yl]oxypentan-2-ol;ethane

3-[5-(2-aminoethyl)-6-ethyl-2-methylpyrimidin-4-yl]oxypentan-2-ol;ethane (PubChem CID 143219245) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is 3-[5-(2-aminoethyl)-6-ethyl-2-methylpyrimidin-4-yl]oxypentan-2-ol;ethane.

Molecular Properties

Compound Name3-[5-(2-aminoethyl)-6-ethyl-2-methylpyrimidin-4-yl]oxypentan-2-ol;ethane
PubChem CID143219245
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC Name3-[5-(2-aminoethyl)-6-ethyl-2-methylpyrimidin-4-yl]oxypentan-2-ol;ethane
SMILESCC.CCc1nc(C)nc(OC(CC)C(C)O)c1CCN
InChIInChI=1S/C14H25N3O2.C2H6/c1-5-12-11(7-8-15)14(17-10(4)16-12)19-13(6-2)9(3)18;1-2/h9,13,18H,5-8,15H2,1-4H3;1-2H3
InChIKeyRLVZBWIPLKBWCZ-UHFFFAOYSA-N
XLogP2.41
TPSA81.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-aminoethyl)-6-ethyl-2-methylpyrimidin-4-yl]oxypentan-2-ol;ethane?
The IUPAC name of 3-[5-(2-aminoethyl)-6-ethyl-2-methylpyrimidin-4-yl]oxypentan-2-ol;ethane (CID 143219245) is 3-[5-(2-aminoethyl)-6-ethyl-2-methylpyrimidin-4-yl]oxypentan-2-ol;ethane.
What is the SMILES notation for 3-[5-(2-aminoethyl)-6-ethyl-2-methylpyrimidin-4-yl]oxypentan-2-ol;ethane?
The canonical SMILES for 3-[5-(2-aminoethyl)-6-ethyl-2-methylpyrimidin-4-yl]oxypentan-2-ol;ethane is CC.CCc1nc(C)nc(OC(CC)C(C)O)c1CCN.
What is the InChIKey of 3-[5-(2-aminoethyl)-6-ethyl-2-methylpyrimidin-4-yl]oxypentan-2-ol;ethane?
The InChIKey is RLVZBWIPLKBWCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2.C2H6/c1-5-12-11(7-8-15)14(17-10(4)16-12)19-13(6-2)9(3)18;1-2/h9,13,18H,5-8,15H2,1-4H3;1-2H3.
What are the key properties of 3-[5-(2-aminoethyl)-6-ethyl-2-methylpyrimidin-4-yl]oxypentan-2-ol;ethane?
3-[5-(2-aminoethyl)-6-ethyl-2-methylpyrimidin-4-yl]oxypentan-2-ol;ethane has a molecular weight of 297.44 g/mol, XLogP of 2.41, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-aminoethyl)-6-ethyl-2-methylpyrimidin-4-yl]oxypentan-2-ol;ethane is sourced from PubChem (CID 143219245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).