2-[2-(1-ethoxy-2-methylpropyl)-6-methylpyrimidin-4-yl]ethanamine

C13H23N3O — CID 116731486

IUPAC2-[2-(1-ethoxy-2-methylpropyl)-6-methylpyrimidin-4-yl]ethanamine
SMILESCCOC(c1nc(C)cc(CCN)n1)C(C)C
InChIInChI=1S/C13H23N3O/c1-5-17-12(9(2)3)13-15-10(4)8-11(16-13)6-7-14/h8-9,12H,5-7,14H2,1-4H3
InChIKeyRLQDCANPDOLEOT-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.02
Rot. Bonds6

About 2-[2-(1-ethoxy-2-methylpropyl)-6-methylpyrimidin-4-yl]ethanamine

2-[2-(1-ethoxy-2-methylpropyl)-6-methylpyrimidin-4-yl]ethanamine (PubChem CID 116731486) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 2-[2-(1-ethoxy-2-methylpropyl)-6-methylpyrimidin-4-yl]ethanamine.

Molecular Properties

Compound Name2-[2-(1-ethoxy-2-methylpropyl)-6-methylpyrimidin-4-yl]ethanamine
PubChem CID116731486
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name2-[2-(1-ethoxy-2-methylpropyl)-6-methylpyrimidin-4-yl]ethanamine
SMILESCCOC(c1nc(C)cc(CCN)n1)C(C)C
InChIInChI=1S/C13H23N3O/c1-5-17-12(9(2)3)13-15-10(4)8-11(16-13)6-7-14/h8-9,12H,5-7,14H2,1-4H3
InChIKeyRLQDCANPDOLEOT-UHFFFAOYSA-N
XLogP2.02
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(1-ethoxy-2-methylpropyl)-1H-1,2,4-triazol-5-yl]ethanamine
CID 116732066
2-[4-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine
CID 116703127
2-[4-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine
CID 116703234
[2-(1-ethoxy-2-methylpropyl)-6-propan-2-ylpyrimidin-4-yl]hydrazine
CID 116730346
N-[[2-(1-ethoxyethyl)-6-methylpyrimidin-4-yl]methyl]-2-methylpropan-2-amine
CID 64533425
2-(6-bromo-2-propan-2-ylpyrimidin-4-yl)ethanamine
CID 83852748
2-(6-methyl-2-phenylpyrimidin-4-yl)ethanamine
CID 28904875
2-[6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]ethanamine;hydrochloride
CID 82022820
[2-(1-ethoxy-2-methylpropyl)-1,3-thiazol-4-yl]methanamine
CID 116727879
2-(6-methyl-2-phenylpyrimidin-4-yl)ethanamine;hydrochloride
CID 82022817
[6-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanamine
CID 116703053
[3-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]phenyl]methanamine
CID 116703177

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-ethoxy-2-methylpropyl)-6-methylpyrimidin-4-yl]ethanamine?
The IUPAC name of 2-[2-(1-ethoxy-2-methylpropyl)-6-methylpyrimidin-4-yl]ethanamine (CID 116731486) is 2-[2-(1-ethoxy-2-methylpropyl)-6-methylpyrimidin-4-yl]ethanamine.
What is the SMILES notation for 2-[2-(1-ethoxy-2-methylpropyl)-6-methylpyrimidin-4-yl]ethanamine?
The canonical SMILES for 2-[2-(1-ethoxy-2-methylpropyl)-6-methylpyrimidin-4-yl]ethanamine is CCOC(c1nc(C)cc(CCN)n1)C(C)C.
What is the InChIKey of 2-[2-(1-ethoxy-2-methylpropyl)-6-methylpyrimidin-4-yl]ethanamine?
The InChIKey is RLQDCANPDOLEOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-5-17-12(9(2)3)13-15-10(4)8-11(16-13)6-7-14/h8-9,12H,5-7,14H2,1-4H3.
What are the key properties of 2-[2-(1-ethoxy-2-methylpropyl)-6-methylpyrimidin-4-yl]ethanamine?
2-[2-(1-ethoxy-2-methylpropyl)-6-methylpyrimidin-4-yl]ethanamine has a molecular weight of 237.35 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-ethoxy-2-methylpropyl)-6-methylpyrimidin-4-yl]ethanamine is sourced from PubChem (CID 116731486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).