6-ethoxy-N-(2-methoxyethyl)-2-(methoxymethyl)pyrimidin-4-amine

C11H19N3O3 — CID 82456633

IUPAC6-ethoxy-N-(2-methoxyethyl)-2-(methoxymethyl)pyrimidin-4-amine
SMILESCCOc1cc(NCCOC)nc(COC)n1
InChIInChI=1S/C11H19N3O3/c1-4-17-11-7-9(12-5-6-15-2)13-10(14-11)8-16-3/h7H,4-6,8H2,1-3H3,(H,12,13,14)
InChIKeyZSIHHIIEJYRAQD-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.08
Rot. Bonds8

About 6-ethoxy-N-(2-methoxyethyl)-2-(methoxymethyl)pyrimidin-4-amine

6-ethoxy-N-(2-methoxyethyl)-2-(methoxymethyl)pyrimidin-4-amine (PubChem CID 82456633) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is 6-ethoxy-N-(2-methoxyethyl)-2-(methoxymethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethoxy-N-(2-methoxyethyl)-2-(methoxymethyl)pyrimidin-4-amine
PubChem CID82456633
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Name6-ethoxy-N-(2-methoxyethyl)-2-(methoxymethyl)pyrimidin-4-amine
SMILESCCOc1cc(NCCOC)nc(COC)n1
InChIInChI=1S/C11H19N3O3/c1-4-17-11-7-9(12-5-6-15-2)13-10(14-11)8-16-3/h7H,4-6,8H2,1-3H3,(H,12,13,14)
InChIKeyZSIHHIIEJYRAQD-UHFFFAOYSA-N
XLogP1.08
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.08
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

2-(methoxymethyl)-6-propoxy-N-propylpyrimidin-4-amine
CID 113401645
N-butyl-2-(methoxymethyl)-6-propoxypyrimidin-4-amine
CID 82456662
6-ethoxy-2-(methoxymethyl)-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
CID 82456613
6-(2-methoxyethoxy)-2-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 82456721
2-(ethoxymethyl)-4-N-(2-methoxyethyl)-6-N-methylpyrimidine-4,6-diamine
CID 113401288
N-tert-butyl-6-(2-methoxyethoxy)-2-(methoxymethyl)pyrimidin-4-amine
CID 82456727
2-ethyl-6-(3-methoxypropoxy)-N-propylpyrimidin-4-amine
CID 80941336
6-butoxy-N-(3-methoxypropyl)-2-propylpyrimidin-4-amine
CID 82454415
6-chloro-N-(3-ethoxypropyl)-2-(methoxymethyl)pyrimidin-4-amine
CID 82463136
6-(2-methoxyethylsulfanyl)-2-(methoxymethyl)-N-propylpyrimidin-4-amine
CID 113401713
N-[2-(methoxymethyl)-6-(2-methylpropoxy)pyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine
CID 82456706
N-(furan-2-ylmethyl)-6-(2-methoxyethoxy)-2-(methoxymethyl)pyrimidin-4-amine
CID 82456733

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-N-(2-methoxyethyl)-2-(methoxymethyl)pyrimidin-4-amine?
The IUPAC name of 6-ethoxy-N-(2-methoxyethyl)-2-(methoxymethyl)pyrimidin-4-amine (CID 82456633) is 6-ethoxy-N-(2-methoxyethyl)-2-(methoxymethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-ethoxy-N-(2-methoxyethyl)-2-(methoxymethyl)pyrimidin-4-amine?
The canonical SMILES for 6-ethoxy-N-(2-methoxyethyl)-2-(methoxymethyl)pyrimidin-4-amine is CCOc1cc(NCCOC)nc(COC)n1.
What is the InChIKey of 6-ethoxy-N-(2-methoxyethyl)-2-(methoxymethyl)pyrimidin-4-amine?
The InChIKey is ZSIHHIIEJYRAQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-4-17-11-7-9(12-5-6-15-2)13-10(14-11)8-16-3/h7H,4-6,8H2,1-3H3,(H,12,13,14).
What are the key properties of 6-ethoxy-N-(2-methoxyethyl)-2-(methoxymethyl)pyrimidin-4-amine?
6-ethoxy-N-(2-methoxyethyl)-2-(methoxymethyl)pyrimidin-4-amine has a molecular weight of 241.29 g/mol, XLogP of 1.08, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-N-(2-methoxyethyl)-2-(methoxymethyl)pyrimidin-4-amine is sourced from PubChem (CID 82456633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).