6-(2-butoxyethoxy)-N-ethyl-5-propylpyrimidin-4-amine

C15H27N3O2 — CID 80861396

IUPAC6-(2-butoxyethoxy)-N-ethyl-5-propylpyrimidin-4-amine
SMILESCCCCOCCOc1ncnc(NCC)c1CCC
InChIInChI=1S/C15H27N3O2/c1-4-7-9-19-10-11-20-15-13(8-5-2)14(16-6-3)17-12-18-15/h12H,4-11H2,1-3H3,(H,16,17,18)
InChIKeyGIHSMBHOQGDIIT-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.06
Rot. Bonds11

About 6-(2-butoxyethoxy)-N-ethyl-5-propylpyrimidin-4-amine

6-(2-butoxyethoxy)-N-ethyl-5-propylpyrimidin-4-amine (PubChem CID 80861396) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 6-(2-butoxyethoxy)-N-ethyl-5-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-butoxyethoxy)-N-ethyl-5-propylpyrimidin-4-amine
PubChem CID80861396
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name6-(2-butoxyethoxy)-N-ethyl-5-propylpyrimidin-4-amine
SMILESCCCCOCCOc1ncnc(NCC)c1CCC
InChIInChI=1S/C15H27N3O2/c1-4-7-9-19-10-11-20-15-13(8-5-2)14(16-6-3)17-12-18-15/h12H,4-11H2,1-3H3,(H,16,17,18)
InChIKeyGIHSMBHOQGDIIT-UHFFFAOYSA-N
XLogP3.06
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-(2-butoxyethoxy)-N-ethyl-5-propylpyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-6-(2-propoxyethoxy)-5-propylpyrimidin-4-amine
CID 80876335
6-ethoxy-N-ethyl-5-propylpyrimidin-4-amine
CID 80858401
N-ethyl-5-propyl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-amine
CID 82794971
N,5-diethyl-6-[2-(2-methoxyethoxy)ethoxy]pyrimidin-4-amine
CID 104568314
N,5-diethyl-6-heptoxypyrimidin-4-amine
CID 80862239
6-heptoxy-N-methyl-5-propylpyrimidin-4-amine
CID 80861395
4-N-(2-butoxyethyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80819264
N-ethyl-6-[(2-methylpropan-2-yl)oxy]-5-propylpyrimidin-4-amine
CID 80861209
N-(2-butoxyethyl)-6-chloro-5-propylpyrimidin-4-amine
CID 63729398
6-(2-butoxyethoxy)-3,5-dichloro-N-ethylpyridin-2-amine
CID 102760364
N-methyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-5-propylpyrimidin-4-amine
CID 112590923
5-ethyl-6-[2-(3-methoxypropoxy)ethoxy]-N-propylpyrimidin-4-amine
CID 103176402

Frequently Asked Questions

What is the IUPAC name of 6-(2-butoxyethoxy)-N-ethyl-5-propylpyrimidin-4-amine?
The IUPAC name of 6-(2-butoxyethoxy)-N-ethyl-5-propylpyrimidin-4-amine (CID 80861396) is 6-(2-butoxyethoxy)-N-ethyl-5-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(2-butoxyethoxy)-N-ethyl-5-propylpyrimidin-4-amine?
The canonical SMILES for 6-(2-butoxyethoxy)-N-ethyl-5-propylpyrimidin-4-amine is CCCCOCCOc1ncnc(NCC)c1CCC.
What is the InChIKey of 6-(2-butoxyethoxy)-N-ethyl-5-propylpyrimidin-4-amine?
The InChIKey is GIHSMBHOQGDIIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-4-7-9-19-10-11-20-15-13(8-5-2)14(16-6-3)17-12-18-15/h12H,4-11H2,1-3H3,(H,16,17,18).
What are the key properties of 6-(2-butoxyethoxy)-N-ethyl-5-propylpyrimidin-4-amine?
6-(2-butoxyethoxy)-N-ethyl-5-propylpyrimidin-4-amine has a molecular weight of 281.40 g/mol, XLogP of 3.06, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-butoxyethoxy)-N-ethyl-5-propylpyrimidin-4-amine is sourced from PubChem (CID 80861396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).