N-ethyl-4-[2-(2-methoxyethoxy)ethoxy]-5-methylpyrimidin-2-amine

C12H21N3O3 — CID 113427596

IUPACN-ethyl-4-[2-(2-methoxyethoxy)ethoxy]-5-methylpyrimidin-2-amine
SMILESCCNc1ncc(C)c(OCCOCCOC)n1
InChIInChI=1S/C12H21N3O3/c1-4-13-12-14-9-10(2)11(15-12)18-8-7-17-6-5-16-3/h9H,4-8H2,1-3H3,(H,13,14,15)
InChIKeyNUBXRGFXZSPZES-UHFFFAOYSA-N
MW255.32 g/mol
LogP1.26
Rot. Bonds9

About N-ethyl-4-[2-(2-methoxyethoxy)ethoxy]-5-methylpyrimidin-2-amine

N-ethyl-4-[2-(2-methoxyethoxy)ethoxy]-5-methylpyrimidin-2-amine (PubChem CID 113427596) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is N-ethyl-4-[2-(2-methoxyethoxy)ethoxy]-5-methylpyrimidin-2-amine.

Molecular Properties

Compound NameN-ethyl-4-[2-(2-methoxyethoxy)ethoxy]-5-methylpyrimidin-2-amine
PubChem CID113427596
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC NameN-ethyl-4-[2-(2-methoxyethoxy)ethoxy]-5-methylpyrimidin-2-amine
SMILESCCNc1ncc(C)c(OCCOCCOC)n1
InChIInChI=1S/C12H21N3O3/c1-4-13-12-14-9-10(2)11(15-12)18-8-7-17-6-5-16-3/h9H,4-8H2,1-3H3,(H,13,14,15)
InChIKeyNUBXRGFXZSPZES-UHFFFAOYSA-N
XLogP1.26
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 51.26
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-(2-methoxyethoxy)ethoxy]-5-methyl-N-propylpyrimidin-2-amine
CID 104568288
2-[2-(ethylamino)-5-methylpyrimidin-4-yl]oxyethanol
CID 80859751
5-bromo-N-ethyl-4-[3-(2-methoxyethoxy)propoxy]pyrimidin-2-amine
CID 103408326
[5-methyl-4-(2-propoxyethoxy)pyrimidin-2-yl]hydrazine
CID 80925219
5-bromo-4-(2-butoxyethoxy)-N-ethylpyrimidin-2-amine
CID 80861009
N-ethyl-5-methyl-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyrimidin-2-amine
CID 80870503
4-butoxy-5-methyl-N-propylpyrimidin-2-amine
CID 80867481
4-(4-bromophenoxy)-N-ethyl-5-methylpyrimidin-2-amine
CID 80864511
5-bromo-4-(2-methoxyethoxy)-N-propylpyrimidin-2-amine
CID 80858542
N-ethyl-6-[2-(2-methoxyethoxy)ethoxy]-5-methylpyrimidin-4-amine
CID 104568195
N-ethyl-5-methyl-4-(oxetan-3-yloxy)pyrimidin-2-amine
CID 102608905
[5-fluoro-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pyrimidin-2-yl]hydrazine
CID 104568409

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[2-(2-methoxyethoxy)ethoxy]-5-methylpyrimidin-2-amine?
The IUPAC name of N-ethyl-4-[2-(2-methoxyethoxy)ethoxy]-5-methylpyrimidin-2-amine (CID 113427596) is N-ethyl-4-[2-(2-methoxyethoxy)ethoxy]-5-methylpyrimidin-2-amine.
What is the SMILES notation for N-ethyl-4-[2-(2-methoxyethoxy)ethoxy]-5-methylpyrimidin-2-amine?
The canonical SMILES for N-ethyl-4-[2-(2-methoxyethoxy)ethoxy]-5-methylpyrimidin-2-amine is CCNc1ncc(C)c(OCCOCCOC)n1.
What is the InChIKey of N-ethyl-4-[2-(2-methoxyethoxy)ethoxy]-5-methylpyrimidin-2-amine?
The InChIKey is NUBXRGFXZSPZES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3/c1-4-13-12-14-9-10(2)11(15-12)18-8-7-17-6-5-16-3/h9H,4-8H2,1-3H3,(H,13,14,15).
What are the key properties of N-ethyl-4-[2-(2-methoxyethoxy)ethoxy]-5-methylpyrimidin-2-amine?
N-ethyl-4-[2-(2-methoxyethoxy)ethoxy]-5-methylpyrimidin-2-amine has a molecular weight of 255.32 g/mol, XLogP of 1.26, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[2-(2-methoxyethoxy)ethoxy]-5-methylpyrimidin-2-amine is sourced from PubChem (CID 113427596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).