6-but-3-enoxy-5-ethylpyrimidin-4-amine

C10H15N3O — CID 80862301

IUPAC6-but-3-enoxy-5-ethylpyrimidin-4-amine
SMILESC=CCCOc1ncnc(N)c1CC
InChIInChI=1S/C10H15N3O/c1-3-5-6-14-10-8(4-2)9(11)12-7-13-10/h3,7H,1,4-6H2,2H3,(H2,11,12,13)
InChIKeyVUFGPHLJJPLNAV-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.58
Rot. Bonds5

About 6-but-3-enoxy-5-ethylpyrimidin-4-amine

6-but-3-enoxy-5-ethylpyrimidin-4-amine (PubChem CID 80862301) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 6-but-3-enoxy-5-ethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-but-3-enoxy-5-ethylpyrimidin-4-amine
PubChem CID80862301
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name6-but-3-enoxy-5-ethylpyrimidin-4-amine
SMILESC=CCCOc1ncnc(N)c1CC
InChIInChI=1S/C10H15N3O/c1-3-5-6-14-10-8(4-2)9(11)12-7-13-10/h3,7H,1,4-6H2,2H3,(H2,11,12,13)
InChIKeyVUFGPHLJJPLNAV-UHFFFAOYSA-N
XLogP1.58
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-but-3-enoxy-5-ethylpyrimidin-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

6-but-3-enoxy-5-nitropyrimidin-4-amine
CID 80861263
4-but-3-enoxy-6-chloro-5-methylpyrimidine
CID 63735872
6-[2-(diethylamino)ethoxy]-5-propylpyrimidin-4-amine
CID 80870423
5-ethyl-6-pentan-2-yloxypyrimidin-4-amine
CID 102989268
6-(2-cyclopropylethoxy)-5-propylpyrimidin-4-amine
CID 106207430
5-methyl-6-propoxypyrimidin-4-amine
CID 80866562
6-but-3-enoxy-3,5-dichloropyridin-2-amine
CID 102760392
5-propan-2-yl-6-prop-2-enoxypyrimidin-4-amine
CID 80868547
6-[2-(3-methoxypropoxy)ethoxy]-5-propylpyrimidin-4-amine
CID 103176433
6-but-3-enoxy-N-methyl-5-propan-2-ylpyrimidin-4-amine
CID 80861071
5-ethyl-4-N-methylpyrimidine-4,6-diamine
CID 80770928
5-ethyl-6-(2-methylcyclohexyl)oxypyrimidin-4-amine
CID 80858978

Frequently Asked Questions

What is the IUPAC name of 6-but-3-enoxy-5-ethylpyrimidin-4-amine?
The IUPAC name of 6-but-3-enoxy-5-ethylpyrimidin-4-amine (CID 80862301) is 6-but-3-enoxy-5-ethylpyrimidin-4-amine.
What is the SMILES notation for 6-but-3-enoxy-5-ethylpyrimidin-4-amine?
The canonical SMILES for 6-but-3-enoxy-5-ethylpyrimidin-4-amine is C=CCCOc1ncnc(N)c1CC.
What is the InChIKey of 6-but-3-enoxy-5-ethylpyrimidin-4-amine?
The InChIKey is VUFGPHLJJPLNAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-3-5-6-14-10-8(4-2)9(11)12-7-13-10/h3,7H,1,4-6H2,2H3,(H2,11,12,13).
What are the key properties of 6-but-3-enoxy-5-ethylpyrimidin-4-amine?
6-but-3-enoxy-5-ethylpyrimidin-4-amine has a molecular weight of 193.25 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-but-3-enoxy-5-ethylpyrimidin-4-amine is sourced from PubChem (CID 80862301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).