3-(2-tert-butylpyrimidin-5-yl)oxy-N-methylcyclobutan-1-amine

C13H21N3O — CID 170389181

IUPAC3-(2-tert-butylpyrimidin-5-yl)oxy-N-methylcyclobutan-1-amine
SMILESCNC1CC(Oc2cnc(C(C)(C)C)nc2)C1
InChIInChI=1S/C13H21N3O/c1-13(2,3)12-15-7-11(8-16-12)17-10-5-9(6-10)14-4/h7-10,14H,5-6H2,1-4H3
InChIKeyDQRQVVZGHYBFBU-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.90
Rot. Bonds3

About 3-(2-tert-butylpyrimidin-5-yl)oxy-N-methylcyclobutan-1-amine

3-(2-tert-butylpyrimidin-5-yl)oxy-N-methylcyclobutan-1-amine (PubChem CID 170389181) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-(2-tert-butylpyrimidin-5-yl)oxy-N-methylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(2-tert-butylpyrimidin-5-yl)oxy-N-methylcyclobutan-1-amine
PubChem CID170389181
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name3-(2-tert-butylpyrimidin-5-yl)oxy-N-methylcyclobutan-1-amine
SMILESCNC1CC(Oc2cnc(C(C)(C)C)nc2)C1
InChIInChI=1S/C13H21N3O/c1-13(2,3)12-15-7-11(8-16-12)17-10-5-9(6-10)14-4/h7-10,14H,5-6H2,1-4H3
InChIKeyDQRQVVZGHYBFBU-UHFFFAOYSA-N
XLogP1.90
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-tert-butylpyrimidin-5-yl)oxy-N-methylcyclobutan-1-amine?
The IUPAC name of 3-(2-tert-butylpyrimidin-5-yl)oxy-N-methylcyclobutan-1-amine (CID 170389181) is 3-(2-tert-butylpyrimidin-5-yl)oxy-N-methylcyclobutan-1-amine.
What is the SMILES notation for 3-(2-tert-butylpyrimidin-5-yl)oxy-N-methylcyclobutan-1-amine?
The canonical SMILES for 3-(2-tert-butylpyrimidin-5-yl)oxy-N-methylcyclobutan-1-amine is CNC1CC(Oc2cnc(C(C)(C)C)nc2)C1.
What is the InChIKey of 3-(2-tert-butylpyrimidin-5-yl)oxy-N-methylcyclobutan-1-amine?
The InChIKey is DQRQVVZGHYBFBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-13(2,3)12-15-7-11(8-16-12)17-10-5-9(6-10)14-4/h7-10,14H,5-6H2,1-4H3.
What are the key properties of 3-(2-tert-butylpyrimidin-5-yl)oxy-N-methylcyclobutan-1-amine?
3-(2-tert-butylpyrimidin-5-yl)oxy-N-methylcyclobutan-1-amine has a molecular weight of 235.33 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-tert-butylpyrimidin-5-yl)oxy-N-methylcyclobutan-1-amine is sourced from PubChem (CID 170389181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).