4-tert-butyl-6-[2-(dimethylamino)ethoxy]pyrimidin-2-amine

C12H22N4O — CID 25130579

IUPAC4-tert-butyl-6-[2-(dimethylamino)ethoxy]pyrimidin-2-amine
SMILESCN(C)CCOc1cc(C(C)(C)C)nc(N)n1
InChIInChI=1S/C12H22N4O/c1-12(2,3)9-8-10(15-11(13)14-9)17-7-6-16(4)5/h8H,6-7H2,1-5H3,(H2,13,14,15)
InChIKeyGGCFHMFNELHSJY-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.30
Rot. Bonds4

About 4-tert-butyl-6-[2-(dimethylamino)ethoxy]pyrimidin-2-amine

4-tert-butyl-6-[2-(dimethylamino)ethoxy]pyrimidin-2-amine (PubChem CID 25130579) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 4-tert-butyl-6-[2-(dimethylamino)ethoxy]pyrimidin-2-amine.

Molecular Properties

Compound Name4-tert-butyl-6-[2-(dimethylamino)ethoxy]pyrimidin-2-amine
PubChem CID25130579
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name4-tert-butyl-6-[2-(dimethylamino)ethoxy]pyrimidin-2-amine
SMILESCN(C)CCOc1cc(C(C)(C)C)nc(N)n1
InChIInChI=1S/C12H22N4O/c1-12(2,3)9-8-10(15-11(13)14-9)17-7-6-16(4)5/h8H,6-7H2,1-5H3,(H2,13,14,15)
InChIKeyGGCFHMFNELHSJY-UHFFFAOYSA-N
XLogP1.30
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-6-[2-(dimethylamino)ethoxy]pyrimidin-2-amine?
The IUPAC name of 4-tert-butyl-6-[2-(dimethylamino)ethoxy]pyrimidin-2-amine (CID 25130579) is 4-tert-butyl-6-[2-(dimethylamino)ethoxy]pyrimidin-2-amine.
What is the SMILES notation for 4-tert-butyl-6-[2-(dimethylamino)ethoxy]pyrimidin-2-amine?
The canonical SMILES for 4-tert-butyl-6-[2-(dimethylamino)ethoxy]pyrimidin-2-amine is CN(C)CCOc1cc(C(C)(C)C)nc(N)n1.
What is the InChIKey of 4-tert-butyl-6-[2-(dimethylamino)ethoxy]pyrimidin-2-amine?
The InChIKey is GGCFHMFNELHSJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-12(2,3)9-8-10(15-11(13)14-9)17-7-6-16(4)5/h8H,6-7H2,1-5H3,(H2,13,14,15).
What are the key properties of 4-tert-butyl-6-[2-(dimethylamino)ethoxy]pyrimidin-2-amine?
4-tert-butyl-6-[2-(dimethylamino)ethoxy]pyrimidin-2-amine has a molecular weight of 238.33 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-6-[2-(dimethylamino)ethoxy]pyrimidin-2-amine is sourced from PubChem (CID 25130579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).