N-ethyl-4-[2-(3-methoxypropoxy)ethoxy]-6-methylpyrimidin-2-amine

C13H23N3O3 — CID 103176501

IUPACN-ethyl-4-[2-(3-methoxypropoxy)ethoxy]-6-methylpyrimidin-2-amine
SMILESCCNc1nc(C)cc(OCCOCCCOC)n1
InChIInChI=1S/C13H23N3O3/c1-4-14-13-15-11(2)10-12(16-13)19-9-8-18-7-5-6-17-3/h10H,4-9H2,1-3H3,(H,14,15,16)
InChIKeyFOERSZXLZDBPPL-UHFFFAOYSA-N
MW269.34 g/mol
LogP1.65
Rot. Bonds10

About N-ethyl-4-[2-(3-methoxypropoxy)ethoxy]-6-methylpyrimidin-2-amine

N-ethyl-4-[2-(3-methoxypropoxy)ethoxy]-6-methylpyrimidin-2-amine (PubChem CID 103176501) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is N-ethyl-4-[2-(3-methoxypropoxy)ethoxy]-6-methylpyrimidin-2-amine.

Molecular Properties

Compound NameN-ethyl-4-[2-(3-methoxypropoxy)ethoxy]-6-methylpyrimidin-2-amine
PubChem CID103176501
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC NameN-ethyl-4-[2-(3-methoxypropoxy)ethoxy]-6-methylpyrimidin-2-amine
SMILESCCNc1nc(C)cc(OCCOCCCOC)n1
InChIInChI=1S/C13H23N3O3/c1-4-14-13-15-11(2)10-12(16-13)19-9-8-18-7-5-6-17-3/h10H,4-9H2,1-3H3,(H,14,15,16)
InChIKeyFOERSZXLZDBPPL-UHFFFAOYSA-N
XLogP1.65
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[2-(3-methoxypropoxy)ethoxy]-6-methyl-N-propylpyrimidin-2-amine
CID 103176485
4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N,6-dimethylpyrimidin-2-amine
CID 104568171
N-ethyl-4-hexoxy-6-methylpyrimidin-2-amine
CID 80861146
N-(3-methoxypropyl)-4-methyl-6-propoxypyrimidin-2-amine
CID 112636619
4-(2-methoxyethoxy)-6-methyl-N-propylpyrimidin-2-amine
CID 80858368
[4-(3-methoxypropoxy)-6-methylpyrimidin-2-yl]hydrazine
CID 80917412
4-(2-cyclopropylethoxy)-N-ethyl-6-methylpyrimidin-2-amine
CID 106207480
N,2-diethyl-6-[2-(3-methoxypropoxy)ethoxy]pyrimidin-4-amine
CID 103176424
4-ethoxy-N-(5-methoxypentyl)-6-methylpyrimidin-2-amine
CID 114131177
N-ethyl-6-[2-(3-methoxypropoxy)ethoxy]pyridin-2-amine
CID 103176415
N-[3-(2-aminoethoxy)propyl]-4-methyl-6-propoxypyrimidin-2-amine
CID 106308368
N-ethyl-4-methyl-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyrimidin-2-amine
CID 80871209

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[2-(3-methoxypropoxy)ethoxy]-6-methylpyrimidin-2-amine?
The IUPAC name of N-ethyl-4-[2-(3-methoxypropoxy)ethoxy]-6-methylpyrimidin-2-amine (CID 103176501) is N-ethyl-4-[2-(3-methoxypropoxy)ethoxy]-6-methylpyrimidin-2-amine.
What is the SMILES notation for N-ethyl-4-[2-(3-methoxypropoxy)ethoxy]-6-methylpyrimidin-2-amine?
The canonical SMILES for N-ethyl-4-[2-(3-methoxypropoxy)ethoxy]-6-methylpyrimidin-2-amine is CCNc1nc(C)cc(OCCOCCCOC)n1.
What is the InChIKey of N-ethyl-4-[2-(3-methoxypropoxy)ethoxy]-6-methylpyrimidin-2-amine?
The InChIKey is FOERSZXLZDBPPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-4-14-13-15-11(2)10-12(16-13)19-9-8-18-7-5-6-17-3/h10H,4-9H2,1-3H3,(H,14,15,16).
What are the key properties of N-ethyl-4-[2-(3-methoxypropoxy)ethoxy]-6-methylpyrimidin-2-amine?
N-ethyl-4-[2-(3-methoxypropoxy)ethoxy]-6-methylpyrimidin-2-amine has a molecular weight of 269.34 g/mol, XLogP of 1.65, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[2-(3-methoxypropoxy)ethoxy]-6-methylpyrimidin-2-amine is sourced from PubChem (CID 103176501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).