6-(3-methylbut-3-enoxy)-N,5-dipropylpyrimidin-4-amine

C15H25N3O — CID 114471081

IUPAC6-(3-methylbut-3-enoxy)-N,5-dipropylpyrimidin-4-amine
SMILESC=C(C)CCOc1ncnc(NCCC)c1CCC
InChIInChI=1S/C15H25N3O/c1-5-7-13-14(16-9-6-2)17-11-18-15(13)19-10-8-12(3)4/h11H,3,5-10H2,1-2,4H3,(H,16,17,18)
InChIKeyGVVJNCPBPVQRST-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.60
Rot. Bonds9

About 6-(3-methylbut-3-enoxy)-N,5-dipropylpyrimidin-4-amine

6-(3-methylbut-3-enoxy)-N,5-dipropylpyrimidin-4-amine (PubChem CID 114471081) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 6-(3-methylbut-3-enoxy)-N,5-dipropylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-methylbut-3-enoxy)-N,5-dipropylpyrimidin-4-amine
PubChem CID114471081
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name6-(3-methylbut-3-enoxy)-N,5-dipropylpyrimidin-4-amine
SMILESC=C(C)CCOc1ncnc(NCCC)c1CCC
InChIInChI=1S/C15H25N3O/c1-5-7-13-14(16-9-6-2)17-11-18-15(13)19-10-8-12(3)4/h11H,3,5-10H2,1-2,4H3,(H,16,17,18)
InChIKeyGVVJNCPBPVQRST-UHFFFAOYSA-N
XLogP3.60
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-6-(3-methylbut-3-enoxy)-5-propylpyrimidine
CID 114470129
6-(3-methoxy-3-methylbutoxy)-N,5-dipropylpyrimidin-4-amine
CID 106669014
6-(2-cyclobutylethoxy)-N,5-dipropylpyrimidin-4-amine
CID 106207776
N-ethyl-6-(3-methylbut-3-enoxy)-5-propan-2-ylpyrimidin-4-amine
CID 114471166
6-(3-methylbutan-2-yloxy)-N,5-dipropylpyrimidin-4-amine
CID 80882614
5-ethyl-6-(2-methoxyethoxy)-N-propylpyrimidin-4-amine
CID 80859758
6-ethoxy-N-ethyl-5-propylpyrimidin-4-amine
CID 80858401
6-(2-butoxyethoxy)-N-ethyl-5-propylpyrimidin-4-amine
CID 80861396
6-heptoxy-N-methyl-5-propylpyrimidin-4-amine
CID 80861395
N-methyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-5-propylpyrimidin-4-amine
CID 112590923
N-ethyl-5-propyl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-amine
CID 82794971
2-cyclopropyl-5-methyl-6-(3-methylbut-3-enoxy)-N-propylpyrimidin-4-amine
CID 114471119

Frequently Asked Questions

What is the IUPAC name of 6-(3-methylbut-3-enoxy)-N,5-dipropylpyrimidin-4-amine?
The IUPAC name of 6-(3-methylbut-3-enoxy)-N,5-dipropylpyrimidin-4-amine (CID 114471081) is 6-(3-methylbut-3-enoxy)-N,5-dipropylpyrimidin-4-amine.
What is the SMILES notation for 6-(3-methylbut-3-enoxy)-N,5-dipropylpyrimidin-4-amine?
The canonical SMILES for 6-(3-methylbut-3-enoxy)-N,5-dipropylpyrimidin-4-amine is C=C(C)CCOc1ncnc(NCCC)c1CCC.
What is the InChIKey of 6-(3-methylbut-3-enoxy)-N,5-dipropylpyrimidin-4-amine?
The InChIKey is GVVJNCPBPVQRST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-5-7-13-14(16-9-6-2)17-11-18-15(13)19-10-8-12(3)4/h11H,3,5-10H2,1-2,4H3,(H,16,17,18).
What are the key properties of 6-(3-methylbut-3-enoxy)-N,5-dipropylpyrimidin-4-amine?
6-(3-methylbut-3-enoxy)-N,5-dipropylpyrimidin-4-amine has a molecular weight of 263.38 g/mol, XLogP of 3.60, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methylbut-3-enoxy)-N,5-dipropylpyrimidin-4-amine is sourced from PubChem (CID 114471081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).