2-cyclopropyl-N-ethyl-6-(3-methylbut-3-enoxy)pyrimidin-4-amine

C14H21N3O — CID 114471097

IUPAC2-cyclopropyl-N-ethyl-6-(3-methylbut-3-enoxy)pyrimidin-4-amine
SMILESC=C(C)CCOc1cc(NCC)nc(C2CC2)n1
InChIInChI=1S/C14H21N3O/c1-4-15-12-9-13(18-8-7-10(2)3)17-14(16-12)11-5-6-11/h9,11H,2,4-8H2,1,3H3,(H,15,16,17)
InChIKeyCFCOAXNONCBSPC-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.13
Rot. Bonds7

About 2-cyclopropyl-N-ethyl-6-(3-methylbut-3-enoxy)pyrimidin-4-amine

2-cyclopropyl-N-ethyl-6-(3-methylbut-3-enoxy)pyrimidin-4-amine (PubChem CID 114471097) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-cyclopropyl-N-ethyl-6-(3-methylbut-3-enoxy)pyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-ethyl-6-(3-methylbut-3-enoxy)pyrimidin-4-amine
PubChem CID114471097
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name2-cyclopropyl-N-ethyl-6-(3-methylbut-3-enoxy)pyrimidin-4-amine
SMILESC=C(C)CCOc1cc(NCC)nc(C2CC2)n1
InChIInChI=1S/C14H21N3O/c1-4-15-12-9-13(18-8-7-10(2)3)17-14(16-12)11-5-6-11/h9,11H,2,4-8H2,1,3H3,(H,15,16,17)
InChIKeyCFCOAXNONCBSPC-UHFFFAOYSA-N
XLogP3.13
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.13
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

6-but-3-enoxy-2-cyclopropyl-N-ethylpyrimidin-4-amine
CID 80966700
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-(1-methylpyrrolidin-2-yl)ethoxy]pyrimidin-4-amine
CID 80965957
2-cyclopropyl-N-prop-2-enyl-6-propoxypyrimidin-4-amine
CID 82456453
N-butyl-2-cyclopropyl-6-propoxypyrimidin-4-amine
CID 82456448
2-cyclopropyl-6-(2-ethoxyethoxy)-N-propylpyrimidin-4-amine
CID 80965945
2-cyclopropyl-N-ethyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine
CID 80965930
6-cyclohexyloxy-2-cyclopropyl-N-ethylpyrimidin-4-amine
CID 80965359
2-cyclohexyl-N-ethyl-6-(2-methylpropoxy)pyrimidin-4-amine
CID 82458405
N-(2-cyclopropyl-6-propoxypyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 82456457
2-cyclopropyl-N-ethyl-6-(4-methoxyphenoxy)pyrimidin-4-amine
CID 80965737

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-ethyl-6-(3-methylbut-3-enoxy)pyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-N-ethyl-6-(3-methylbut-3-enoxy)pyrimidin-4-amine (CID 114471097) is 2-cyclopropyl-N-ethyl-6-(3-methylbut-3-enoxy)pyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-N-ethyl-6-(3-methylbut-3-enoxy)pyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-N-ethyl-6-(3-methylbut-3-enoxy)pyrimidin-4-amine is C=C(C)CCOc1cc(NCC)nc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-N-ethyl-6-(3-methylbut-3-enoxy)pyrimidin-4-amine?
The InChIKey is CFCOAXNONCBSPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-4-15-12-9-13(18-8-7-10(2)3)17-14(16-12)11-5-6-11/h9,11H,2,4-8H2,1,3H3,(H,15,16,17).
What are the key properties of 2-cyclopropyl-N-ethyl-6-(3-methylbut-3-enoxy)pyrimidin-4-amine?
2-cyclopropyl-N-ethyl-6-(3-methylbut-3-enoxy)pyrimidin-4-amine has a molecular weight of 247.34 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-ethyl-6-(3-methylbut-3-enoxy)pyrimidin-4-amine is sourced from PubChem (CID 114471097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).