6-but-3-enoxy-2-cyclopropyl-N-ethylpyrimidin-4-amine

C13H19N3O — CID 80966700

IUPAC6-but-3-enoxy-2-cyclopropyl-N-ethylpyrimidin-4-amine
SMILESC=CCCOc1cc(NCC)nc(C2CC2)n1
InChIInChI=1S/C13H19N3O/c1-3-5-8-17-12-9-11(14-4-2)15-13(16-12)10-6-7-10/h3,9-10H,1,4-8H2,2H3,(H,14,15,16)
InChIKeyACDRVOCQTBBJHW-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.74
Rot. Bonds7

About 6-but-3-enoxy-2-cyclopropyl-N-ethylpyrimidin-4-amine

6-but-3-enoxy-2-cyclopropyl-N-ethylpyrimidin-4-amine (PubChem CID 80966700) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 6-but-3-enoxy-2-cyclopropyl-N-ethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-but-3-enoxy-2-cyclopropyl-N-ethylpyrimidin-4-amine
PubChem CID80966700
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name6-but-3-enoxy-2-cyclopropyl-N-ethylpyrimidin-4-amine
SMILESC=CCCOc1cc(NCC)nc(C2CC2)n1
InChIInChI=1S/C13H19N3O/c1-3-5-8-17-12-9-11(14-4-2)15-13(16-12)10-6-7-10/h3,9-10H,1,4-8H2,2H3,(H,14,15,16)
InChIKeyACDRVOCQTBBJHW-UHFFFAOYSA-N
XLogP2.74
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.74
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'}

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Related Compounds

2-cyclopropyl-N-prop-2-enyl-6-propoxypyrimidin-4-amine
CID 82456453
2-cyclopropyl-N-ethyl-6-(3-methylbut-3-enoxy)pyrimidin-4-amine
CID 114471097
2-cyclopropyl-N-ethyl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-amine
CID 82794820
2-cyclopropyl-N-ethyl-6-[3-(2-methoxyethoxy)propoxy]pyrimidin-4-amine
CID 103408531
2-cyclopropyl-N-ethyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine
CID 80965930
2-cyclopropyl-N-ethyl-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyrimidin-4-amine
CID 80965957
N-butyl-2-cyclopropyl-6-propoxypyrimidin-4-amine
CID 82456448
2-cyclopropyl-6-(2-ethoxyethoxy)-N-propylpyrimidin-4-amine
CID 80965945
N-ethyl-6-pent-4-enoxy-2-propan-2-ylpyrimidin-4-amine
CID 80962371
6-cyclohexyloxy-2-cyclopropyl-N-ethylpyrimidin-4-amine
CID 80965359
2-cyclohexyl-N-ethyl-6-(2-methylpropoxy)pyrimidin-4-amine
CID 82458405
2-cyclopropyl-N-ethyl-6-(4-methoxyphenoxy)pyrimidin-4-amine
CID 80965737

Frequently Asked Questions

What is the IUPAC name of 6-but-3-enoxy-2-cyclopropyl-N-ethylpyrimidin-4-amine?
The IUPAC name of 6-but-3-enoxy-2-cyclopropyl-N-ethylpyrimidin-4-amine (CID 80966700) is 6-but-3-enoxy-2-cyclopropyl-N-ethylpyrimidin-4-amine.
What is the SMILES notation for 6-but-3-enoxy-2-cyclopropyl-N-ethylpyrimidin-4-amine?
The canonical SMILES for 6-but-3-enoxy-2-cyclopropyl-N-ethylpyrimidin-4-amine is C=CCCOc1cc(NCC)nc(C2CC2)n1.
What is the InChIKey of 6-but-3-enoxy-2-cyclopropyl-N-ethylpyrimidin-4-amine?
The InChIKey is ACDRVOCQTBBJHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-3-5-8-17-12-9-11(14-4-2)15-13(16-12)10-6-7-10/h3,9-10H,1,4-8H2,2H3,(H,14,15,16).
What are the key properties of 6-but-3-enoxy-2-cyclopropyl-N-ethylpyrimidin-4-amine?
6-but-3-enoxy-2-cyclopropyl-N-ethylpyrimidin-4-amine has a molecular weight of 233.31 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-but-3-enoxy-2-cyclopropyl-N-ethylpyrimidin-4-amine is sourced from PubChem (CID 80966700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).