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

C14H23N3O — CID 114471166

IUPACN-ethyl-6-(3-methylbut-3-enoxy)-5-propan-2-ylpyrimidin-4-amine
SMILESC=C(C)CCOc1ncnc(NCC)c1C(C)C
InChIInChI=1S/C14H23N3O/c1-6-15-13-12(11(4)5)14(17-9-16-13)18-8-7-10(2)3/h9,11H,2,6-8H2,1,3-5H3,(H,15,16,17)
InChIKeyCWZSWFWMTKIZRP-UHFFFAOYSA-N
MW249.36 g/mol
LogP3.38
Rot. Bonds7

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

N-ethyl-6-(3-methylbut-3-enoxy)-5-propan-2-ylpyrimidin-4-amine (PubChem CID 114471166) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N-ethyl-6-(3-methylbut-3-enoxy)-5-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-6-(3-methylbut-3-enoxy)-5-propan-2-ylpyrimidin-4-amine
PubChem CID114471166
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN-ethyl-6-(3-methylbut-3-enoxy)-5-propan-2-ylpyrimidin-4-amine
SMILESC=C(C)CCOc1ncnc(NCC)c1C(C)C
InChIInChI=1S/C14H23N3O/c1-6-15-13-12(11(4)5)14(17-9-16-13)18-8-7-10(2)3/h9,11H,2,6-8H2,1,3-5H3,(H,15,16,17)
InChIKeyCWZSWFWMTKIZRP-UHFFFAOYSA-N
XLogP3.38
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 53.38
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

N-ethyl-5-propan-2-yl-6-prop-2-ynoxypyrimidin-4-amine
CID 80861670
6-(3-methylbut-3-enoxy)-N,5-dipropylpyrimidin-4-amine
CID 114471081
N-ethyl-6-(3-methylbutan-2-yloxy)-5-propan-2-ylpyrimidin-4-amine
CID 80883020
N-ethyl-5-methyl-6-(3-methylbut-3-enoxy)-2-propan-2-ylpyrimidin-4-amine
CID 114471199
6-(2-chlorophenoxy)-N-ethyl-5-propan-2-ylpyrimidin-4-amine
CID 80863799
6-(1-ethoxypropan-2-yloxy)-N-ethyl-5-propan-2-ylpyrimidin-4-amine
CID 103491655
6-cyclohexyloxy-N-ethyl-5-propan-2-ylpyrimidin-4-amine
CID 80859432
6-(2,4-difluorophenoxy)-N-ethyl-5-propan-2-ylpyrimidin-4-amine
CID 80866182
6-[(2-chlorophenyl)methoxy]-N-ethyl-5-propan-2-ylpyrimidin-4-amine
CID 80844937
1-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]propan-2-ol
CID 80779051
N-ethyl-6-(2-fluorophenoxy)-5-propan-2-ylpyrimidin-4-amine
CID 80863706
N-ethyl-6-(oxan-4-yloxy)-5-propan-2-ylpyrimidin-4-amine
CID 80872208

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-(3-methylbut-3-enoxy)-5-propan-2-ylpyrimidin-4-amine?
The IUPAC name of N-ethyl-6-(3-methylbut-3-enoxy)-5-propan-2-ylpyrimidin-4-amine (CID 114471166) is N-ethyl-6-(3-methylbut-3-enoxy)-5-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-ethyl-6-(3-methylbut-3-enoxy)-5-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for N-ethyl-6-(3-methylbut-3-enoxy)-5-propan-2-ylpyrimidin-4-amine is C=C(C)CCOc1ncnc(NCC)c1C(C)C.
What is the InChIKey of N-ethyl-6-(3-methylbut-3-enoxy)-5-propan-2-ylpyrimidin-4-amine?
The InChIKey is CWZSWFWMTKIZRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-6-15-13-12(11(4)5)14(17-9-16-13)18-8-7-10(2)3/h9,11H,2,6-8H2,1,3-5H3,(H,15,16,17).
What are the key properties of N-ethyl-6-(3-methylbut-3-enoxy)-5-propan-2-ylpyrimidin-4-amine?
N-ethyl-6-(3-methylbut-3-enoxy)-5-propan-2-ylpyrimidin-4-amine has a molecular weight of 249.36 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-(3-methylbut-3-enoxy)-5-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 114471166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).