4-amino-2-(1-ethoxy-2,2-dimethylpropyl)-5-methyl-1H-pyrimidin-6-one

C12H21N3O2 — CID 136955125

IUPAC4-amino-2-(1-ethoxy-2,2-dimethylpropyl)-5-methyl-1H-pyrimidin-6-one
SMILESCCOC(c1nc(N)c(C)c(=O)[nH]1)C(C)(C)C
InChIInChI=1S/C12H21N3O2/c1-6-17-8(12(3,4)5)10-14-9(13)7(2)11(16)15-10/h8H,6H2,1-5H3,(H3,13,14,15,16)
InChIKeyUMACOCZWWGVOJV-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.78
Rot. Bonds3

About 4-amino-2-(1-ethoxy-2,2-dimethylpropyl)-5-methyl-1H-pyrimidin-6-one

4-amino-2-(1-ethoxy-2,2-dimethylpropyl)-5-methyl-1H-pyrimidin-6-one (PubChem CID 136955125) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 4-amino-2-(1-ethoxy-2,2-dimethylpropyl)-5-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-amino-2-(1-ethoxy-2,2-dimethylpropyl)-5-methyl-1H-pyrimidin-6-one
PubChem CID136955125
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name4-amino-2-(1-ethoxy-2,2-dimethylpropyl)-5-methyl-1H-pyrimidin-6-one
SMILESCCOC(c1nc(N)c(C)c(=O)[nH]1)C(C)(C)C
InChIInChI=1S/C12H21N3O2/c1-6-17-8(12(3,4)5)10-14-9(13)7(2)11(16)15-10/h8H,6H2,1-5H3,(H3,13,14,15,16)
InChIKeyUMACOCZWWGVOJV-UHFFFAOYSA-N
XLogP1.78
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(1-ethoxy-2,2-dimethylpropyl)-5-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-amino-2-(1-ethoxy-2,2-dimethylpropyl)-5-methyl-1H-pyrimidin-6-one (CID 136955125) is 4-amino-2-(1-ethoxy-2,2-dimethylpropyl)-5-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-amino-2-(1-ethoxy-2,2-dimethylpropyl)-5-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-amino-2-(1-ethoxy-2,2-dimethylpropyl)-5-methyl-1H-pyrimidin-6-one is CCOC(c1nc(N)c(C)c(=O)[nH]1)C(C)(C)C.
What is the InChIKey of 4-amino-2-(1-ethoxy-2,2-dimethylpropyl)-5-methyl-1H-pyrimidin-6-one?
The InChIKey is UMACOCZWWGVOJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-6-17-8(12(3,4)5)10-14-9(13)7(2)11(16)15-10/h8H,6H2,1-5H3,(H3,13,14,15,16).
What are the key properties of 4-amino-2-(1-ethoxy-2,2-dimethylpropyl)-5-methyl-1H-pyrimidin-6-one?
4-amino-2-(1-ethoxy-2,2-dimethylpropyl)-5-methyl-1H-pyrimidin-6-one has a molecular weight of 239.32 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(1-ethoxy-2,2-dimethylpropyl)-5-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136955125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).