4-ethoxy-N-[2-(2-methoxyethoxy)ethyl]pyrimidin-2-amine

C11H19N3O3 — CID 112637344

IUPAC4-ethoxy-N-[2-(2-methoxyethoxy)ethyl]pyrimidin-2-amine
SMILESCCOc1ccnc(NCCOCCOC)n1
InChIInChI=1S/C11H19N3O3/c1-3-17-10-4-5-12-11(14-10)13-6-7-16-9-8-15-2/h4-5H,3,6-9H2,1-2H3,(H,12,13,14)
InChIKeyIRXSKASBMWWMBN-UHFFFAOYSA-N
MW241.29 g/mol
LogP0.95
Rot. Bonds9

About 4-ethoxy-N-[2-(2-methoxyethoxy)ethyl]pyrimidin-2-amine

4-ethoxy-N-[2-(2-methoxyethoxy)ethyl]pyrimidin-2-amine (PubChem CID 112637344) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is 4-ethoxy-N-[2-(2-methoxyethoxy)ethyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-ethoxy-N-[2-(2-methoxyethoxy)ethyl]pyrimidin-2-amine
PubChem CID112637344
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Name4-ethoxy-N-[2-(2-methoxyethoxy)ethyl]pyrimidin-2-amine
SMILESCCOc1ccnc(NCCOCCOC)n1
InChIInChI=1S/C11H19N3O3/c1-3-17-10-4-5-12-11(14-10)13-6-7-16-9-8-15-2/h4-5H,3,6-9H2,1-2H3,(H,12,13,14)
InChIKeyIRXSKASBMWWMBN-UHFFFAOYSA-N
XLogP0.95
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.95
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-methoxy-N-[3-(2-methoxyethoxy)propyl]pyrimidin-2-amine
CID 78818903
4-[2-(2-methoxyethoxy)ethoxy]-N-methylpyrimidin-2-amine
CID 104568221
[4-[2-(2-methoxyethoxy)ethoxy]pyrimidin-2-yl]hydrazine
CID 104568494
N-(2-methoxyethyl)-4-propan-2-yloxypyrimidin-2-amine
CID 112636373
N'-(4-ethoxypyrimidin-2-yl)-N-ethylpropane-1,3-diamine
CID 112638517
4-ethoxy-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine
CID 112636496
4-ethoxy-N-(2-phenylethyl)pyrimidin-2-amine
CID 112636504
2-[(4-ethoxypyrimidin-2-yl)amino]acetic acid
CID 112635975
3-[[(4-ethoxypyrimidin-2-yl)amino]methyl]pentan-3-ol
CID 112637987
1-[(4-ethoxypyrimidin-2-yl)amino]-2-methylbutan-2-ol
CID 112637981
4-ethoxy-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine
CID 112636470
N-[3-(4-aminocyclohexyl)oxypropyl]-4-ethoxypyrimidin-2-amine
CID 115975401

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[2-(2-methoxyethoxy)ethyl]pyrimidin-2-amine?
The IUPAC name of 4-ethoxy-N-[2-(2-methoxyethoxy)ethyl]pyrimidin-2-amine (CID 112637344) is 4-ethoxy-N-[2-(2-methoxyethoxy)ethyl]pyrimidin-2-amine.
What is the SMILES notation for 4-ethoxy-N-[2-(2-methoxyethoxy)ethyl]pyrimidin-2-amine?
The canonical SMILES for 4-ethoxy-N-[2-(2-methoxyethoxy)ethyl]pyrimidin-2-amine is CCOc1ccnc(NCCOCCOC)n1.
What is the InChIKey of 4-ethoxy-N-[2-(2-methoxyethoxy)ethyl]pyrimidin-2-amine?
The InChIKey is IRXSKASBMWWMBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-3-17-10-4-5-12-11(14-10)13-6-7-16-9-8-15-2/h4-5H,3,6-9H2,1-2H3,(H,12,13,14).
What are the key properties of 4-ethoxy-N-[2-(2-methoxyethoxy)ethyl]pyrimidin-2-amine?
4-ethoxy-N-[2-(2-methoxyethoxy)ethyl]pyrimidin-2-amine has a molecular weight of 241.29 g/mol, XLogP of 0.95, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[2-(2-methoxyethoxy)ethyl]pyrimidin-2-amine is sourced from PubChem (CID 112637344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).