methyl 2-(2-aminopropan-2-yl)-5,6-dimethoxypyrimidine-4-carboxylate

C11H17N3O4 — CID 59346724

IUPACmethyl 2-(2-aminopropan-2-yl)-5,6-dimethoxypyrimidine-4-carboxylate
SMILESCOC(=O)c1nc(C(C)(C)N)nc(OC)c1OC
InChIInChI=1S/C11H17N3O4/c1-11(2,12)10-13-6(9(15)18-5)7(16-3)8(14-10)17-4/h12H2,1-5H3
InChIKeyGEMAXUOPFMFWLM-UHFFFAOYSA-N
MW255.27 g/mol
LogP0.47
Rot. Bonds4

About methyl 2-(2-aminopropan-2-yl)-5,6-dimethoxypyrimidine-4-carboxylate

methyl 2-(2-aminopropan-2-yl)-5,6-dimethoxypyrimidine-4-carboxylate (PubChem CID 59346724) has the molecular formula C11H17N3O4 and a molecular weight of 255.27 g/mol. Its IUPAC name is methyl 2-(2-aminopropan-2-yl)-5,6-dimethoxypyrimidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2-aminopropan-2-yl)-5,6-dimethoxypyrimidine-4-carboxylate
PubChem CID59346724
Molecular FormulaC11H17N3O4
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC Namemethyl 2-(2-aminopropan-2-yl)-5,6-dimethoxypyrimidine-4-carboxylate
SMILESCOC(=O)c1nc(C(C)(C)N)nc(OC)c1OC
InChIInChI=1S/C11H17N3O4/c1-11(2,12)10-13-6(9(15)18-5)7(16-3)8(14-10)17-4/h12H2,1-5H3
InChIKeyGEMAXUOPFMFWLM-UHFFFAOYSA-N
XLogP0.47
TPSA96.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-aminopropan-2-yl)-5,6-dimethoxypyrimidine-4-carboxylate?
The IUPAC name of methyl 2-(2-aminopropan-2-yl)-5,6-dimethoxypyrimidine-4-carboxylate (CID 59346724) is methyl 2-(2-aminopropan-2-yl)-5,6-dimethoxypyrimidine-4-carboxylate.
What is the SMILES notation for methyl 2-(2-aminopropan-2-yl)-5,6-dimethoxypyrimidine-4-carboxylate?
The canonical SMILES for methyl 2-(2-aminopropan-2-yl)-5,6-dimethoxypyrimidine-4-carboxylate is COC(=O)c1nc(C(C)(C)N)nc(OC)c1OC.
What is the InChIKey of methyl 2-(2-aminopropan-2-yl)-5,6-dimethoxypyrimidine-4-carboxylate?
The InChIKey is GEMAXUOPFMFWLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4/c1-11(2,12)10-13-6(9(15)18-5)7(16-3)8(14-10)17-4/h12H2,1-5H3.
What are the key properties of methyl 2-(2-aminopropan-2-yl)-5,6-dimethoxypyrimidine-4-carboxylate?
methyl 2-(2-aminopropan-2-yl)-5,6-dimethoxypyrimidine-4-carboxylate has a molecular weight of 255.27 g/mol, XLogP of 0.47, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-aminopropan-2-yl)-5,6-dimethoxypyrimidine-4-carboxylate is sourced from PubChem (CID 59346724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).