N,2-diethyl-6-[3-(2-methoxyethoxy)propoxy]-5-methylpyrimidin-4-amine

C15H27N3O3 — CID 103408396

IUPACN,2-diethyl-6-[3-(2-methoxyethoxy)propoxy]-5-methylpyrimidin-4-amine
SMILESCCNc1nc(CC)nc(OCCCOCCOC)c1C
InChIInChI=1S/C15H27N3O3/c1-5-13-17-14(16-6-2)12(3)15(18-13)21-9-7-8-20-11-10-19-4/h5-11H2,1-4H3,(H,16,17,18)
InChIKeyQSGFFNXGDFGYAA-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.21
Rot. Bonds11

About N,2-diethyl-6-[3-(2-methoxyethoxy)propoxy]-5-methylpyrimidin-4-amine

N,2-diethyl-6-[3-(2-methoxyethoxy)propoxy]-5-methylpyrimidin-4-amine (PubChem CID 103408396) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is N,2-diethyl-6-[3-(2-methoxyethoxy)propoxy]-5-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN,2-diethyl-6-[3-(2-methoxyethoxy)propoxy]-5-methylpyrimidin-4-amine
PubChem CID103408396
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC NameN,2-diethyl-6-[3-(2-methoxyethoxy)propoxy]-5-methylpyrimidin-4-amine
SMILESCCNc1nc(CC)nc(OCCCOCCOC)c1C
InChIInChI=1S/C15H27N3O3/c1-5-13-17-14(16-6-2)12(3)15(18-13)21-9-7-8-20-11-10-19-4/h5-11H2,1-4H3,(H,16,17,18)
InChIKeyQSGFFNXGDFGYAA-UHFFFAOYSA-N
XLogP2.21
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.21
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-ethyl-6-[3-(2-methoxyethoxy)propoxy]-5-methylpyrimidin-4-yl]hydrazine
CID 103408611
6-(2-ethoxyethoxy)-N,2-diethyl-5-methylpyrimidin-4-amine
CID 80989417
N-ethyl-6-(3-methoxypropoxy)-5-methyl-2-propylpyrimidin-4-amine
CID 80988992
N,2-diethyl-5-methyl-6-propoxypyrimidin-4-amine
CID 80989328
2-ethyl-6-(2-methoxyethoxy)-N,5-dimethylpyrimidin-4-amine
CID 80988826
N-ethyl-6-[2-(2-methoxyethoxy)ethoxy]-5-methylpyrimidin-4-amine
CID 104568195
[6-[2-(3-methoxypropoxy)ethoxy]-5-methyl-2-propylpyrimidin-4-yl]hydrazine
CID 103176603
2-tert-butyl-N-ethyl-6-(3-methoxypropoxy)-5-methylpyrimidin-4-amine
CID 80987964
N,2-diethyl-5-methyl-6-prop-2-enoxypyrimidin-4-amine
CID 80988312
3-[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]oxypropan-1-ol
CID 80988731
2-ethyl-5-methyl-6-propoxy-N-propylpyrimidin-4-amine
CID 80989654
6-[3-(dimethylamino)propoxy]-N-ethyl-5-methyl-2-propylpyrimidin-4-amine
CID 80990365

Frequently Asked Questions

What is the IUPAC name of N,2-diethyl-6-[3-(2-methoxyethoxy)propoxy]-5-methylpyrimidin-4-amine?
The IUPAC name of N,2-diethyl-6-[3-(2-methoxyethoxy)propoxy]-5-methylpyrimidin-4-amine (CID 103408396) is N,2-diethyl-6-[3-(2-methoxyethoxy)propoxy]-5-methylpyrimidin-4-amine.
What is the SMILES notation for N,2-diethyl-6-[3-(2-methoxyethoxy)propoxy]-5-methylpyrimidin-4-amine?
The canonical SMILES for N,2-diethyl-6-[3-(2-methoxyethoxy)propoxy]-5-methylpyrimidin-4-amine is CCNc1nc(CC)nc(OCCCOCCOC)c1C.
What is the InChIKey of N,2-diethyl-6-[3-(2-methoxyethoxy)propoxy]-5-methylpyrimidin-4-amine?
The InChIKey is QSGFFNXGDFGYAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-5-13-17-14(16-6-2)12(3)15(18-13)21-9-7-8-20-11-10-19-4/h5-11H2,1-4H3,(H,16,17,18).
What are the key properties of N,2-diethyl-6-[3-(2-methoxyethoxy)propoxy]-5-methylpyrimidin-4-amine?
N,2-diethyl-6-[3-(2-methoxyethoxy)propoxy]-5-methylpyrimidin-4-amine has a molecular weight of 297.40 g/mol, XLogP of 2.21, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-diethyl-6-[3-(2-methoxyethoxy)propoxy]-5-methylpyrimidin-4-amine is sourced from PubChem (CID 103408396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).