6-ethoxy-N-(3-methoxy-2,2,3-trimethylcyclobutyl)-N-methylpyrimidin-4-amine

C15H25N3O2 — CID 133485041

IUPAC6-ethoxy-N-(3-methoxy-2,2,3-trimethylcyclobutyl)-N-methylpyrimidin-4-amine
SMILESCCOc1cc(N(C)C2CC(C)(OC)C2(C)C)ncn1
InChIInChI=1S/C15H25N3O2/c1-7-20-13-8-12(16-10-17-13)18(5)11-9-15(4,19-6)14(11,2)3/h8,10-11H,7,9H2,1-6H3
InChIKeyFBSDUFUUSGNXPA-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.52
Rot. Bonds5

About 6-ethoxy-N-(3-methoxy-2,2,3-trimethylcyclobutyl)-N-methylpyrimidin-4-amine

6-ethoxy-N-(3-methoxy-2,2,3-trimethylcyclobutyl)-N-methylpyrimidin-4-amine (PubChem CID 133485041) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 6-ethoxy-N-(3-methoxy-2,2,3-trimethylcyclobutyl)-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-ethoxy-N-(3-methoxy-2,2,3-trimethylcyclobutyl)-N-methylpyrimidin-4-amine
PubChem CID133485041
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name6-ethoxy-N-(3-methoxy-2,2,3-trimethylcyclobutyl)-N-methylpyrimidin-4-amine
SMILESCCOc1cc(N(C)C2CC(C)(OC)C2(C)C)ncn1
InChIInChI=1S/C15H25N3O2/c1-7-20-13-8-12(16-10-17-13)18(5)11-9-15(4,19-6)14(11,2)3/h8,10-11H,7,9H2,1-6H3
InChIKeyFBSDUFUUSGNXPA-UHFFFAOYSA-N
XLogP2.52
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-N-(3-methoxy-2,2,3-trimethylcyclobutyl)-N-methylpyrimidin-4-amine?
The IUPAC name of 6-ethoxy-N-(3-methoxy-2,2,3-trimethylcyclobutyl)-N-methylpyrimidin-4-amine (CID 133485041) is 6-ethoxy-N-(3-methoxy-2,2,3-trimethylcyclobutyl)-N-methylpyrimidin-4-amine.
What is the SMILES notation for 6-ethoxy-N-(3-methoxy-2,2,3-trimethylcyclobutyl)-N-methylpyrimidin-4-amine?
The canonical SMILES for 6-ethoxy-N-(3-methoxy-2,2,3-trimethylcyclobutyl)-N-methylpyrimidin-4-amine is CCOc1cc(N(C)C2CC(C)(OC)C2(C)C)ncn1.
What is the InChIKey of 6-ethoxy-N-(3-methoxy-2,2,3-trimethylcyclobutyl)-N-methylpyrimidin-4-amine?
The InChIKey is FBSDUFUUSGNXPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-7-20-13-8-12(16-10-17-13)18(5)11-9-15(4,19-6)14(11,2)3/h8,10-11H,7,9H2,1-6H3.
What are the key properties of 6-ethoxy-N-(3-methoxy-2,2,3-trimethylcyclobutyl)-N-methylpyrimidin-4-amine?
6-ethoxy-N-(3-methoxy-2,2,3-trimethylcyclobutyl)-N-methylpyrimidin-4-amine has a molecular weight of 279.38 g/mol, XLogP of 2.52, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-N-(3-methoxy-2,2,3-trimethylcyclobutyl)-N-methylpyrimidin-4-amine is sourced from PubChem (CID 133485041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).