5-tert-butyl-4-cyclopropyl-6-(trideuteriomethoxy)pyrimidine

C12H18N2O — CID 156675341

IUPAC5-tert-butyl-4-cyclopropyl-6-(trideuteriomethoxy)pyrimidine
SMILES[2H]C([2H])([2H])Oc1ncnc(C2CC2)c1C(C)(C)C
InChIInChI=1S/C12H18N2O/c1-12(2,3)9-10(8-5-6-8)13-7-14-11(9)15-4/h7-8H,5-6H2,1-4H3/i4D3
InChIKeyMNQSMMSEKJKUPP-GKOSEXJESA-N
MW209.31 g/mol
LogP2.66
Rot. Bonds3

About 5-tert-butyl-4-cyclopropyl-6-(trideuteriomethoxy)pyrimidine

5-tert-butyl-4-cyclopropyl-6-(trideuteriomethoxy)pyrimidine (PubChem CID 156675341) has the molecular formula C12H18N2O and a molecular weight of 209.31 g/mol. Its IUPAC name is 5-tert-butyl-4-cyclopropyl-6-(trideuteriomethoxy)pyrimidine.

Molecular Properties

Compound Name5-tert-butyl-4-cyclopropyl-6-(trideuteriomethoxy)pyrimidine
PubChem CID156675341
Molecular FormulaC12H18N2O
Molecular Weight209.31 g/mol
Exact Mass209.16
IUPAC Name5-tert-butyl-4-cyclopropyl-6-(trideuteriomethoxy)pyrimidine
SMILES[2H]C([2H])([2H])Oc1ncnc(C2CC2)c1C(C)(C)C
InChIInChI=1S/C12H18N2O/c1-12(2,3)9-10(8-5-6-8)13-7-14-11(9)15-4/h7-8H,5-6H2,1-4H3/i4D3
InChIKeyMNQSMMSEKJKUPP-GKOSEXJESA-N
XLogP2.66
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-4-cyclopropyl-6-(trideuteriomethoxy)pyrimidine?
The IUPAC name of 5-tert-butyl-4-cyclopropyl-6-(trideuteriomethoxy)pyrimidine (CID 156675341) is 5-tert-butyl-4-cyclopropyl-6-(trideuteriomethoxy)pyrimidine.
What is the SMILES notation for 5-tert-butyl-4-cyclopropyl-6-(trideuteriomethoxy)pyrimidine?
The canonical SMILES for 5-tert-butyl-4-cyclopropyl-6-(trideuteriomethoxy)pyrimidine is [2H]C([2H])([2H])Oc1ncnc(C2CC2)c1C(C)(C)C.
What is the InChIKey of 5-tert-butyl-4-cyclopropyl-6-(trideuteriomethoxy)pyrimidine?
The InChIKey is MNQSMMSEKJKUPP-GKOSEXJESA-N. The full InChI is InChI=1S/C12H18N2O/c1-12(2,3)9-10(8-5-6-8)13-7-14-11(9)15-4/h7-8H,5-6H2,1-4H3/i4D3.
What are the key properties of 5-tert-butyl-4-cyclopropyl-6-(trideuteriomethoxy)pyrimidine?
5-tert-butyl-4-cyclopropyl-6-(trideuteriomethoxy)pyrimidine has a molecular weight of 209.31 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-4-cyclopropyl-6-(trideuteriomethoxy)pyrimidine is sourced from PubChem (CID 156675341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).