6-[[(2-methoxy-2-methylpropyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione

C12H21N3O3 — CID 113450124

IUPAC6-[[(2-methoxy-2-methylpropyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCOC(C)(C)CNCc1cc(=O)n(C)c(=O)n1C
InChIInChI=1S/C12H21N3O3/c1-12(2,18-5)8-13-7-9-6-10(16)15(4)11(17)14(9)3/h6,13H,7-8H2,1-5H3
InChIKeyXAPKJUPGJZZDEJ-UHFFFAOYSA-N
MW255.32 g/mol
LogP-0.40
Rot. Bonds5

About 6-[[(2-methoxy-2-methylpropyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione

6-[[(2-methoxy-2-methylpropyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 113450124) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is 6-[[(2-methoxy-2-methylpropyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[[(2-methoxy-2-methylpropyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID113450124
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC Name6-[[(2-methoxy-2-methylpropyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCOC(C)(C)CNCc1cc(=O)n(C)c(=O)n1C
InChIInChI=1S/C12H21N3O3/c1-12(2,18-5)8-13-7-9-6-10(16)15(4)11(17)14(9)3/h6,13H,7-8H2,1-5H3
InChIKeyXAPKJUPGJZZDEJ-UHFFFAOYSA-N
XLogP-0.40
TPSA65.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[[(2-methoxy-2-methylpropyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-[[(2-methoxy-2-methylpropyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione (CID 113450124) is 6-[[(2-methoxy-2-methylpropyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-[[(2-methoxy-2-methylpropyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-[[(2-methoxy-2-methylpropyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione is COC(C)(C)CNCc1cc(=O)n(C)c(=O)n1C.
What is the InChIKey of 6-[[(2-methoxy-2-methylpropyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is XAPKJUPGJZZDEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3/c1-12(2,18-5)8-13-7-9-6-10(16)15(4)11(17)14(9)3/h6,13H,7-8H2,1-5H3.
What are the key properties of 6-[[(2-methoxy-2-methylpropyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
6-[[(2-methoxy-2-methylpropyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 255.32 g/mol, XLogP of -0.40, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(2-methoxy-2-methylpropyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 113450124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).