2-tert-butyl-6-(2-methoxyethoxy)-N,5-dimethylpyrimidin-4-amine

C13H23N3O2 — CID 80988043

IUPAC2-tert-butyl-6-(2-methoxyethoxy)-N,5-dimethylpyrimidin-4-amine
SMILESCNc1nc(C(C)(C)C)nc(OCCOC)c1C
InChIInChI=1S/C13H23N3O2/c1-9-10(14-5)15-12(13(2,3)4)16-11(9)18-8-7-17-6/h7-8H2,1-6H3,(H,14,15,16)
InChIKeyLTDXWEHFQGBDIF-UHFFFAOYSA-N
MW253.35 g/mol
LogP2.15
Rot. Bonds5

About 2-tert-butyl-6-(2-methoxyethoxy)-N,5-dimethylpyrimidin-4-amine

2-tert-butyl-6-(2-methoxyethoxy)-N,5-dimethylpyrimidin-4-amine (PubChem CID 80988043) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-tert-butyl-6-(2-methoxyethoxy)-N,5-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-6-(2-methoxyethoxy)-N,5-dimethylpyrimidin-4-amine
PubChem CID80988043
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name2-tert-butyl-6-(2-methoxyethoxy)-N,5-dimethylpyrimidin-4-amine
SMILESCNc1nc(C(C)(C)C)nc(OCCOC)c1C
InChIInChI=1S/C13H23N3O2/c1-9-10(14-5)15-12(13(2,3)4)16-11(9)18-8-7-17-6/h7-8H2,1-6H3,(H,14,15,16)
InChIKeyLTDXWEHFQGBDIF-UHFFFAOYSA-N
XLogP2.15
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-(2-methoxyethoxy)-N,2,5-trimethylpyrimidin-4-amine
CID 80859844
2-tert-butyl-6-(2,2-difluoroethoxy)-N,5-dimethylpyrimidin-4-amine
CID 82010167
2-tert-butyl-N-ethyl-6-(3-methoxypropoxy)-5-methylpyrimidin-4-amine
CID 80987964
2-ethyl-6-(2-methoxyethoxy)-N,5-dimethylpyrimidin-4-amine
CID 80988826
2-tert-butyl-4-N-(3-methoxypropyl)-4-N,6-N,5-trimethylpyrimidine-4,6-diamine
CID 80983794
2-tert-butyl-N,5-dimethyl-6-propan-2-yloxypyrimidin-4-amine
CID 80989428
6-butan-2-yloxy-2-tert-butyl-N,5-dimethylpyrimidin-4-amine
CID 80988606
2-tert-butyl-N,5-dimethyl-6-(oxan-4-ylmethoxy)pyrimidin-4-amine
CID 80991354
[2-tert-butyl-5-methyl-6-(2-propoxyethoxy)pyrimidin-4-yl]hydrazine
CID 81001737
6-(2-methoxyethoxy)-N,5-dimethylpyrimidin-4-amine
CID 80859076
2-tert-butyl-N,5-dimethyl-6-phenoxypyrimidin-4-amine
CID 80987975
2-tert-butyl-N-ethyl-5-methyl-6-(3-methylbut-3-enoxy)pyrimidin-4-amine
CID 114471120

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-(2-methoxyethoxy)-N,5-dimethylpyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-6-(2-methoxyethoxy)-N,5-dimethylpyrimidin-4-amine (CID 80988043) is 2-tert-butyl-6-(2-methoxyethoxy)-N,5-dimethylpyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-6-(2-methoxyethoxy)-N,5-dimethylpyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-6-(2-methoxyethoxy)-N,5-dimethylpyrimidin-4-amine is CNc1nc(C(C)(C)C)nc(OCCOC)c1C.
What is the InChIKey of 2-tert-butyl-6-(2-methoxyethoxy)-N,5-dimethylpyrimidin-4-amine?
The InChIKey is LTDXWEHFQGBDIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-9-10(14-5)15-12(13(2,3)4)16-11(9)18-8-7-17-6/h7-8H2,1-6H3,(H,14,15,16).
What are the key properties of 2-tert-butyl-6-(2-methoxyethoxy)-N,5-dimethylpyrimidin-4-amine?
2-tert-butyl-6-(2-methoxyethoxy)-N,5-dimethylpyrimidin-4-amine has a molecular weight of 253.35 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-(2-methoxyethoxy)-N,5-dimethylpyrimidin-4-amine is sourced from PubChem (CID 80988043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).