4-(2-amino-2-methylbutoxy)-2-ethyl-1H-pyrimidin-6-one

C11H19N3O2 — CID 114586487

IUPAC4-(2-amino-2-methylbutoxy)-2-ethyl-1H-pyrimidin-6-one
SMILESCCc1nc(OCC(C)(N)CC)cc(=O)[nH]1
InChIInChI=1S/C11H19N3O2/c1-4-8-13-9(15)6-10(14-8)16-7-11(3,12)5-2/h6H,4-5,7,12H2,1-3H3,(H,13,14,15)
InChIKeyVKQNOQXVPUOBPM-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.84
Rot. Bonds5

About 4-(2-amino-2-methylbutoxy)-2-ethyl-1H-pyrimidin-6-one

4-(2-amino-2-methylbutoxy)-2-ethyl-1H-pyrimidin-6-one (PubChem CID 114586487) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 4-(2-amino-2-methylbutoxy)-2-ethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2-amino-2-methylbutoxy)-2-ethyl-1H-pyrimidin-6-one
PubChem CID114586487
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name4-(2-amino-2-methylbutoxy)-2-ethyl-1H-pyrimidin-6-one
SMILESCCc1nc(OCC(C)(N)CC)cc(=O)[nH]1
InChIInChI=1S/C11H19N3O2/c1-4-8-13-9(15)6-10(14-8)16-7-11(3,12)5-2/h6H,4-5,7,12H2,1-3H3,(H,13,14,15)
InChIKeyVKQNOQXVPUOBPM-UHFFFAOYSA-N
XLogP0.84
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(cyclopropylmethoxy)-2-ethyl-1H-pyrimidin-6-one
CID 103240776
4-butan-2-yloxy-2-ethyl-1H-pyrimidin-6-one
CID 103240860
4-(2,2-dimethylbutylamino)-2-ethyl-1H-pyrimidin-6-one
CID 136768848
4-cyclohexyloxy-2-ethyl-1H-pyrimidin-6-one
CID 103240537
2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]ethyl carbamate
CID 136976721
4-(5-amino-2-methylphenoxy)-2-ethyl-1H-pyrimidin-6-one
CID 114578659
2-methyl-1-(6-methylpyrimidin-4-yl)oxybutan-2-amine
CID 64571505
1-(5,6-dimethylpyrazin-2-yl)oxy-2-methylbutan-2-amine
CID 114477092
2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylpropanamide
CID 136974611
2-ethyl-4-(2-fluorophenoxy)-1H-pyrimidin-6-one
CID 103241071
2-ethyl-4-naphthalen-1-yloxy-1H-pyrimidin-6-one
CID 103241192
2-(2-amino-2-methylbutoxy)pyridine-4-carbonitrile
CID 64571714

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-methylbutoxy)-2-ethyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(2-amino-2-methylbutoxy)-2-ethyl-1H-pyrimidin-6-one (CID 114586487) is 4-(2-amino-2-methylbutoxy)-2-ethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2-amino-2-methylbutoxy)-2-ethyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2-amino-2-methylbutoxy)-2-ethyl-1H-pyrimidin-6-one is CCc1nc(OCC(C)(N)CC)cc(=O)[nH]1.
What is the InChIKey of 4-(2-amino-2-methylbutoxy)-2-ethyl-1H-pyrimidin-6-one?
The InChIKey is VKQNOQXVPUOBPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-4-8-13-9(15)6-10(14-8)16-7-11(3,12)5-2/h6H,4-5,7,12H2,1-3H3,(H,13,14,15).
What are the key properties of 4-(2-amino-2-methylbutoxy)-2-ethyl-1H-pyrimidin-6-one?
4-(2-amino-2-methylbutoxy)-2-ethyl-1H-pyrimidin-6-one has a molecular weight of 225.29 g/mol, XLogP of 0.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-2-methylbutoxy)-2-ethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 114586487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).