N-(2-ethoxy-2-methylpropyl)-6-methoxy-2-methylpyrimidin-4-amine

C12H21N3O2 — CID 114942912

IUPACN-(2-ethoxy-2-methylpropyl)-6-methoxy-2-methylpyrimidin-4-amine
SMILESCCOC(C)(C)CNc1cc(OC)nc(C)n1
InChIInChI=1S/C12H21N3O2/c1-6-17-12(3,4)8-13-10-7-11(16-5)15-9(2)14-10/h7H,6,8H2,1-5H3,(H,13,14,15)
InChIKeyGVYYWQWHWVTRJC-UHFFFAOYSA-N
MW239.32 g/mol
LogP2.02
Rot. Bonds6

About N-(2-ethoxy-2-methylpropyl)-6-methoxy-2-methylpyrimidin-4-amine

N-(2-ethoxy-2-methylpropyl)-6-methoxy-2-methylpyrimidin-4-amine (PubChem CID 114942912) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is N-(2-ethoxy-2-methylpropyl)-6-methoxy-2-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-ethoxy-2-methylpropyl)-6-methoxy-2-methylpyrimidin-4-amine
PubChem CID114942912
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC NameN-(2-ethoxy-2-methylpropyl)-6-methoxy-2-methylpyrimidin-4-amine
SMILESCCOC(C)(C)CNc1cc(OC)nc(C)n1
InChIInChI=1S/C12H21N3O2/c1-6-17-12(3,4)8-13-10-7-11(16-5)15-9(2)14-10/h7H,6,8H2,1-5H3,(H,13,14,15)
InChIKeyGVYYWQWHWVTRJC-UHFFFAOYSA-N
XLogP2.02
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxy-2-methylpropyl)-6-methoxy-2-methylpyrimidin-4-amine?
The IUPAC name of N-(2-ethoxy-2-methylpropyl)-6-methoxy-2-methylpyrimidin-4-amine (CID 114942912) is N-(2-ethoxy-2-methylpropyl)-6-methoxy-2-methylpyrimidin-4-amine.
What is the SMILES notation for N-(2-ethoxy-2-methylpropyl)-6-methoxy-2-methylpyrimidin-4-amine?
The canonical SMILES for N-(2-ethoxy-2-methylpropyl)-6-methoxy-2-methylpyrimidin-4-amine is CCOC(C)(C)CNc1cc(OC)nc(C)n1.
What is the InChIKey of N-(2-ethoxy-2-methylpropyl)-6-methoxy-2-methylpyrimidin-4-amine?
The InChIKey is GVYYWQWHWVTRJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-6-17-12(3,4)8-13-10-7-11(16-5)15-9(2)14-10/h7H,6,8H2,1-5H3,(H,13,14,15).
What are the key properties of N-(2-ethoxy-2-methylpropyl)-6-methoxy-2-methylpyrimidin-4-amine?
N-(2-ethoxy-2-methylpropyl)-6-methoxy-2-methylpyrimidin-4-amine has a molecular weight of 239.32 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxy-2-methylpropyl)-6-methoxy-2-methylpyrimidin-4-amine is sourced from PubChem (CID 114942912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).