4,6-bis(trideuteriomethoxy)pyrimidin-2-amine

C6H9N3O2 — CID 71313201

IUPAC4,6-bis(trideuteriomethoxy)pyrimidin-2-amine
SMILES[2H]C([2H])([2H])Oc1cc(OC([2H])([2H])[2H])nc(N)n1
InChIInChI=1S/C6H9N3O2/c1-10-4-3-5(11-2)9-6(7)8-4/h3H,1-2H3,(H2,7,8,9)/i1D3,2D3
InChIKeyLVFRCHIUUKWBLR-WFGJKAKNSA-N
MW161.19 g/mol
LogP0.08
Rot. Bonds4

About 4,6-bis(trideuteriomethoxy)pyrimidin-2-amine

4,6-bis(trideuteriomethoxy)pyrimidin-2-amine (PubChem CID 71313201) has the molecular formula C6H9N3O2 and a molecular weight of 161.19 g/mol. Its IUPAC name is 4,6-bis(trideuteriomethoxy)pyrimidin-2-amine.

Molecular Properties

Compound Name4,6-bis(trideuteriomethoxy)pyrimidin-2-amine
PubChem CID71313201
Molecular FormulaC6H9N3O2
Molecular Weight161.19 g/mol
Exact Mass161.11
IUPAC Name4,6-bis(trideuteriomethoxy)pyrimidin-2-amine
SMILES[2H]C([2H])([2H])Oc1cc(OC([2H])([2H])[2H])nc(N)n1
InChIInChI=1S/C6H9N3O2/c1-10-4-3-5(11-2)9-6(7)8-4/h3H,1-2H3,(H2,7,8,9)/i1D3,2D3
InChIKeyLVFRCHIUUKWBLR-WFGJKAKNSA-N
XLogP0.08
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.19
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,6-bis(trideuteriomethoxy)pyrimidin-2-amine?
The IUPAC name of 4,6-bis(trideuteriomethoxy)pyrimidin-2-amine (CID 71313201) is 4,6-bis(trideuteriomethoxy)pyrimidin-2-amine.
What is the SMILES notation for 4,6-bis(trideuteriomethoxy)pyrimidin-2-amine?
The canonical SMILES for 4,6-bis(trideuteriomethoxy)pyrimidin-2-amine is [2H]C([2H])([2H])Oc1cc(OC([2H])([2H])[2H])nc(N)n1.
What is the InChIKey of 4,6-bis(trideuteriomethoxy)pyrimidin-2-amine?
The InChIKey is LVFRCHIUUKWBLR-WFGJKAKNSA-N. The full InChI is InChI=1S/C6H9N3O2/c1-10-4-3-5(11-2)9-6(7)8-4/h3H,1-2H3,(H2,7,8,9)/i1D3,2D3.
What are the key properties of 4,6-bis(trideuteriomethoxy)pyrimidin-2-amine?
4,6-bis(trideuteriomethoxy)pyrimidin-2-amine has a molecular weight of 161.19 g/mol, XLogP of 0.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis(trideuteriomethoxy)pyrimidin-2-amine is sourced from PubChem (CID 71313201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).