5-amino-4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-1H-pyrimidin-6-one

C12H20N4O2 — CID 136696616

IUPAC5-amino-4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-1H-pyrimidin-6-one
SMILESCCOC1CC(Nc2nc[nH]c(=O)c2N)C1(C)C
InChIInChI=1S/C12H20N4O2/c1-4-18-8-5-7(12(8,2)3)16-10-9(13)11(17)15-6-14-10/h6-8H,4-5,13H2,1-3H3,(H2,14,15,16,17)
InChIKeyZOJSRDWSNSOBNE-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.97
Rot. Bonds4

About 5-amino-4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-1H-pyrimidin-6-one

5-amino-4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-1H-pyrimidin-6-one (PubChem CID 136696616) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 5-amino-4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-1H-pyrimidin-6-one
PubChem CID136696616
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name5-amino-4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-1H-pyrimidin-6-one
SMILESCCOC1CC(Nc2nc[nH]c(=O)c2N)C1(C)C
InChIInChI=1S/C12H20N4O2/c1-4-18-8-5-7(12(8,2)3)16-10-9(13)11(17)15-6-14-10/h6-8H,4-5,13H2,1-3H3,(H2,14,15,16,17)
InChIKeyZOJSRDWSNSOBNE-UHFFFAOYSA-N
XLogP0.97
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-1H-pyrimidin-6-one (CID 136696616) is 5-amino-4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-1H-pyrimidin-6-one is CCOC1CC(Nc2nc[nH]c(=O)c2N)C1(C)C.
What is the InChIKey of 5-amino-4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-1H-pyrimidin-6-one?
The InChIKey is ZOJSRDWSNSOBNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-4-18-8-5-7(12(8,2)3)16-10-9(13)11(17)15-6-14-10/h6-8H,4-5,13H2,1-3H3,(H2,14,15,16,17).
What are the key properties of 5-amino-4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-1H-pyrimidin-6-one?
5-amino-4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-1H-pyrimidin-6-one has a molecular weight of 252.32 g/mol, XLogP of 0.97, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136696616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).