2-[2-(1-ethoxypropyl)-4,6-diethylpyrimidin-5-yl]-N-methylethanamine

C16H29N3O — CID 116731898

IUPAC2-[2-(1-ethoxypropyl)-4,6-diethylpyrimidin-5-yl]-N-methylethanamine
SMILESCCOC(CC)c1nc(CC)c(CCNC)c(CC)n1
InChIInChI=1S/C16H29N3O/c1-6-13-12(10-11-17-5)14(7-2)19-16(18-13)15(8-3)20-9-4/h15,17H,6-11H2,1-5H3
InChIKeyJCHLMRKOZMRTFE-UHFFFAOYSA-N
MW279.43 g/mol
LogP2.85
Rot. Bonds9

About 2-[2-(1-ethoxypropyl)-4,6-diethylpyrimidin-5-yl]-N-methylethanamine

2-[2-(1-ethoxypropyl)-4,6-diethylpyrimidin-5-yl]-N-methylethanamine (PubChem CID 116731898) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is 2-[2-(1-ethoxypropyl)-4,6-diethylpyrimidin-5-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[2-(1-ethoxypropyl)-4,6-diethylpyrimidin-5-yl]-N-methylethanamine
PubChem CID116731898
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name2-[2-(1-ethoxypropyl)-4,6-diethylpyrimidin-5-yl]-N-methylethanamine
SMILESCCOC(CC)c1nc(CC)c(CCNC)c(CC)n1
InChIInChI=1S/C16H29N3O/c1-6-13-12(10-11-17-5)14(7-2)19-16(18-13)15(8-3)20-9-4/h15,17H,6-11H2,1-5H3
InChIKeyJCHLMRKOZMRTFE-UHFFFAOYSA-N
XLogP2.85
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-(1-ethoxypropyl)-6-ethyl-N-methylpyrimidin-4-amine
CID 116729550
2-(1-ethoxypropyl)-6-ethyl-5-methylpyrimidin-4-amine
CID 116729178
[2-(1-ethoxypropyl)-6-ethyl-5-methylpyrimidin-4-yl]hydrazine
CID 116730430
N-[2-[2-(1-ethoxypropyl)-4,6-dimethylpyrimidin-5-yl]ethyl]cyclopropanamine
CID 116731690
3-[2-(1-methoxypropyl)-4,6-dimethylpyrimidin-5-yl]-N-methylpropan-1-amine
CID 116731610
5-bromo-2-(1-ethoxypropyl)-6-propylpyrimidin-4-amine
CID 116729378
2-(1-ethoxypropyl)-5-iodo-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 116729749
2-(4,6-diethyl-2-piperidin-1-ylpyrimidin-5-yl)-N-methylethanamine
CID 79219149
N-[3-[2-(1-ethoxypropyl)-4,6-dimethylpyrimidin-5-yl]propyl]cyclopropanamine
CID 116731637
2-[3-(1-ethoxybutyl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine
CID 116702358
2-[4,6-diethyl-2-(2-methylpropylsulfanylmethyl)pyrimidin-5-yl]-N-methylethanamine
CID 79219947
5-bromo-2-(1-ethoxypropyl)-6-methylpyrimidin-4-amine
CID 116729296

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-ethoxypropyl)-4,6-diethylpyrimidin-5-yl]-N-methylethanamine?
The IUPAC name of 2-[2-(1-ethoxypropyl)-4,6-diethylpyrimidin-5-yl]-N-methylethanamine (CID 116731898) is 2-[2-(1-ethoxypropyl)-4,6-diethylpyrimidin-5-yl]-N-methylethanamine.
What is the SMILES notation for 2-[2-(1-ethoxypropyl)-4,6-diethylpyrimidin-5-yl]-N-methylethanamine?
The canonical SMILES for 2-[2-(1-ethoxypropyl)-4,6-diethylpyrimidin-5-yl]-N-methylethanamine is CCOC(CC)c1nc(CC)c(CCNC)c(CC)n1.
What is the InChIKey of 2-[2-(1-ethoxypropyl)-4,6-diethylpyrimidin-5-yl]-N-methylethanamine?
The InChIKey is JCHLMRKOZMRTFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-6-13-12(10-11-17-5)14(7-2)19-16(18-13)15(8-3)20-9-4/h15,17H,6-11H2,1-5H3.
What are the key properties of 2-[2-(1-ethoxypropyl)-4,6-diethylpyrimidin-5-yl]-N-methylethanamine?
2-[2-(1-ethoxypropyl)-4,6-diethylpyrimidin-5-yl]-N-methylethanamine has a molecular weight of 279.43 g/mol, XLogP of 2.85, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-ethoxypropyl)-4,6-diethylpyrimidin-5-yl]-N-methylethanamine is sourced from PubChem (CID 116731898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).