3-[(6-ethoxy-2-methylpyrimidin-4-yl)oxymethyl]pentan-3-amine

C13H23N3O2 — CID 66333935

IUPAC3-[(6-ethoxy-2-methylpyrimidin-4-yl)oxymethyl]pentan-3-amine
SMILESCCOc1cc(OCC(N)(CC)CC)nc(C)n1
InChIInChI=1S/C13H23N3O2/c1-5-13(14,6-2)9-18-12-8-11(17-7-3)15-10(4)16-12/h8H,5-7,9,14H2,1-4H3
InChIKeyINNARSHBBWGJOW-UHFFFAOYSA-N
MW253.35 g/mol
LogP2.08
Rot. Bonds7

About 3-[(6-ethoxy-2-methylpyrimidin-4-yl)oxymethyl]pentan-3-amine

3-[(6-ethoxy-2-methylpyrimidin-4-yl)oxymethyl]pentan-3-amine (PubChem CID 66333935) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 3-[(6-ethoxy-2-methylpyrimidin-4-yl)oxymethyl]pentan-3-amine.

Molecular Properties

Compound Name3-[(6-ethoxy-2-methylpyrimidin-4-yl)oxymethyl]pentan-3-amine
PubChem CID66333935
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name3-[(6-ethoxy-2-methylpyrimidin-4-yl)oxymethyl]pentan-3-amine
SMILESCCOc1cc(OCC(N)(CC)CC)nc(C)n1
InChIInChI=1S/C13H23N3O2/c1-5-13(14,6-2)9-18-12-8-11(17-7-3)15-10(4)16-12/h8H,5-7,9,14H2,1-4H3
InChIKeyINNARSHBBWGJOW-UHFFFAOYSA-N
XLogP2.08
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(6-ethoxy-2-methylpyrimidin-4-yl)oxy-2-methylpropan-2-amine
CID 66333732
3-[(6-propoxypyrimidin-4-yl)oxymethyl]pentan-3-amine
CID 66333203
3-(6-ethoxy-2-methylpyrimidin-4-yl)oxycyclobutan-1-amine
CID 66331296
[4-(6-ethoxy-2-methylpyrimidin-4-yl)oxyphenyl]methanamine
CID 106485715
2-(2-amino-2-ethylbutoxy)pyridine-4-carbonitrile
CID 64572339
3-[(6-propan-2-ylpyrimidin-4-yl)oxymethyl]pentan-3-amine
CID 64573844
2-methyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine
CID 80859442
[2-[(6-ethoxy-2-methylpyrimidin-4-yl)oxymethyl]cyclopentyl]methanamine
CID 66331092
3-[[4-(trifluoromethyl)-2-pyridinyl]oxymethyl]pentan-3-amine
CID 66328310
3-(6-ethoxy-2-methylpyrimidin-4-yl)butan-2-ol
CID 66331506
2-[4-(6-ethoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]ethanamine
CID 66333920
3-[(4-methyl-6-propan-2-ylpyrimidin-2-yl)oxymethyl]pentan-3-amine
CID 113491586

Frequently Asked Questions

What is the IUPAC name of 3-[(6-ethoxy-2-methylpyrimidin-4-yl)oxymethyl]pentan-3-amine?
The IUPAC name of 3-[(6-ethoxy-2-methylpyrimidin-4-yl)oxymethyl]pentan-3-amine (CID 66333935) is 3-[(6-ethoxy-2-methylpyrimidin-4-yl)oxymethyl]pentan-3-amine.
What is the SMILES notation for 3-[(6-ethoxy-2-methylpyrimidin-4-yl)oxymethyl]pentan-3-amine?
The canonical SMILES for 3-[(6-ethoxy-2-methylpyrimidin-4-yl)oxymethyl]pentan-3-amine is CCOc1cc(OCC(N)(CC)CC)nc(C)n1.
What is the InChIKey of 3-[(6-ethoxy-2-methylpyrimidin-4-yl)oxymethyl]pentan-3-amine?
The InChIKey is INNARSHBBWGJOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-5-13(14,6-2)9-18-12-8-11(17-7-3)15-10(4)16-12/h8H,5-7,9,14H2,1-4H3.
What are the key properties of 3-[(6-ethoxy-2-methylpyrimidin-4-yl)oxymethyl]pentan-3-amine?
3-[(6-ethoxy-2-methylpyrimidin-4-yl)oxymethyl]pentan-3-amine has a molecular weight of 253.35 g/mol, XLogP of 2.08, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-ethoxy-2-methylpyrimidin-4-yl)oxymethyl]pentan-3-amine is sourced from PubChem (CID 66333935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).