N-[[2-(1-methoxypropan-2-yloxy)-4-methylpyrimidin-5-yl]methyl]ethanamine

C12H21N3O2 — CID 83188930

IUPACN-[[2-(1-methoxypropan-2-yloxy)-4-methylpyrimidin-5-yl]methyl]ethanamine
SMILESCCNCc1cnc(OC(C)COC)nc1C
InChIInChI=1S/C12H21N3O2/c1-5-13-6-11-7-14-12(15-10(11)3)17-9(2)8-16-4/h7,9,13H,5-6,8H2,1-4H3
InChIKeyUDACPRNJAYUIHQ-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.31
Rot. Bonds7

About N-[[2-(1-methoxypropan-2-yloxy)-4-methylpyrimidin-5-yl]methyl]ethanamine

N-[[2-(1-methoxypropan-2-yloxy)-4-methylpyrimidin-5-yl]methyl]ethanamine (PubChem CID 83188930) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is N-[[2-(1-methoxypropan-2-yloxy)-4-methylpyrimidin-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(1-methoxypropan-2-yloxy)-4-methylpyrimidin-5-yl]methyl]ethanamine
PubChem CID83188930
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC NameN-[[2-(1-methoxypropan-2-yloxy)-4-methylpyrimidin-5-yl]methyl]ethanamine
SMILESCCNCc1cnc(OC(C)COC)nc1C
InChIInChI=1S/C12H21N3O2/c1-5-13-6-11-7-14-12(15-10(11)3)17-9(2)8-16-4/h7,9,13H,5-6,8H2,1-4H3
InChIKeyUDACPRNJAYUIHQ-UHFFFAOYSA-N
XLogP1.31
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(1-methoxypropan-2-yloxy)-4-methylpyrimidin-5-yl]methyl]ethanamine?
The IUPAC name of N-[[2-(1-methoxypropan-2-yloxy)-4-methylpyrimidin-5-yl]methyl]ethanamine (CID 83188930) is N-[[2-(1-methoxypropan-2-yloxy)-4-methylpyrimidin-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(1-methoxypropan-2-yloxy)-4-methylpyrimidin-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-(1-methoxypropan-2-yloxy)-4-methylpyrimidin-5-yl]methyl]ethanamine is CCNCc1cnc(OC(C)COC)nc1C.
What is the InChIKey of N-[[2-(1-methoxypropan-2-yloxy)-4-methylpyrimidin-5-yl]methyl]ethanamine?
The InChIKey is UDACPRNJAYUIHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-5-13-6-11-7-14-12(15-10(11)3)17-9(2)8-16-4/h7,9,13H,5-6,8H2,1-4H3.
What are the key properties of N-[[2-(1-methoxypropan-2-yloxy)-4-methylpyrimidin-5-yl]methyl]ethanamine?
N-[[2-(1-methoxypropan-2-yloxy)-4-methylpyrimidin-5-yl]methyl]ethanamine has a molecular weight of 239.32 g/mol, XLogP of 1.31, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1-methoxypropan-2-yloxy)-4-methylpyrimidin-5-yl]methyl]ethanamine is sourced from PubChem (CID 83188930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).