N-ethyl-5-methyl-6-(3-methylbut-3-enoxy)-2-propan-2-ylpyrimidin-4-amine

C15H25N3O — CID 114471199

IUPACN-ethyl-5-methyl-6-(3-methylbut-3-enoxy)-2-propan-2-ylpyrimidin-4-amine
SMILESC=C(C)CCOc1nc(C(C)C)nc(NCC)c1C
InChIInChI=1S/C15H25N3O/c1-7-16-14-12(6)15(19-9-8-10(2)3)18-13(17-14)11(4)5/h11H,2,7-9H2,1,3-6H3,(H,16,17,18)
InChIKeyMSMOEYHQOUYLMR-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.69
Rot. Bonds7

About N-ethyl-5-methyl-6-(3-methylbut-3-enoxy)-2-propan-2-ylpyrimidin-4-amine

N-ethyl-5-methyl-6-(3-methylbut-3-enoxy)-2-propan-2-ylpyrimidin-4-amine (PubChem CID 114471199) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is N-ethyl-5-methyl-6-(3-methylbut-3-enoxy)-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-5-methyl-6-(3-methylbut-3-enoxy)-2-propan-2-ylpyrimidin-4-amine
PubChem CID114471199
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC NameN-ethyl-5-methyl-6-(3-methylbut-3-enoxy)-2-propan-2-ylpyrimidin-4-amine
SMILESC=C(C)CCOc1nc(C(C)C)nc(NCC)c1C
InChIInChI=1S/C15H25N3O/c1-7-16-14-12(6)15(19-9-8-10(2)3)18-13(17-14)11(4)5/h11H,2,7-9H2,1,3-6H3,(H,16,17,18)
InChIKeyMSMOEYHQOUYLMR-UHFFFAOYSA-N
XLogP3.69
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-methyl-6-(3-methylbut-3-enoxy)-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of N-ethyl-5-methyl-6-(3-methylbut-3-enoxy)-2-propan-2-ylpyrimidin-4-amine (CID 114471199) is N-ethyl-5-methyl-6-(3-methylbut-3-enoxy)-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-ethyl-5-methyl-6-(3-methylbut-3-enoxy)-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for N-ethyl-5-methyl-6-(3-methylbut-3-enoxy)-2-propan-2-ylpyrimidin-4-amine is C=C(C)CCOc1nc(C(C)C)nc(NCC)c1C.
What is the InChIKey of N-ethyl-5-methyl-6-(3-methylbut-3-enoxy)-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is MSMOEYHQOUYLMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-7-16-14-12(6)15(19-9-8-10(2)3)18-13(17-14)11(4)5/h11H,2,7-9H2,1,3-6H3,(H,16,17,18).
What are the key properties of N-ethyl-5-methyl-6-(3-methylbut-3-enoxy)-2-propan-2-ylpyrimidin-4-amine?
N-ethyl-5-methyl-6-(3-methylbut-3-enoxy)-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 263.38 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-methyl-6-(3-methylbut-3-enoxy)-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 114471199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).