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

C13H21N3O3 — CID 136696615

IUPAC4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-5-methoxy-1H-pyrimidin-6-one
SMILESCCOC1CC(Nc2nc[nH]c(=O)c2OC)C1(C)C
InChIInChI=1S/C13H21N3O3/c1-5-19-9-6-8(13(9,2)3)16-11-10(18-4)12(17)15-7-14-11/h7-9H,5-6H2,1-4H3,(H2,14,15,16,17)
InChIKeyUJDSLSBDDGRTRB-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.39
Rot. Bonds5

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

4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-5-methoxy-1H-pyrimidin-6-one (PubChem CID 136696615) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-5-methoxy-1H-pyrimidin-6-one
PubChem CID136696615
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-5-methoxy-1H-pyrimidin-6-one
SMILESCCOC1CC(Nc2nc[nH]c(=O)c2OC)C1(C)C
InChIInChI=1S/C13H21N3O3/c1-5-19-9-6-8(13(9,2)3)16-11-10(18-4)12(17)15-7-14-11/h7-9H,5-6H2,1-4H3,(H2,14,15,16,17)
InChIKeyUJDSLSBDDGRTRB-UHFFFAOYSA-N
XLogP1.39
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-methoxy-4-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-1H-pyrimidin-6-one
CID 136696608
4-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-1H-pyrimidin-6-one
CID 136696613
5-amino-4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-1H-pyrimidin-6-one
CID 136696616
5-chloro-4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-1H-pyrimidin-6-one
CID 136696618
4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136696620
4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-1H-pyrimidin-6-one
CID 136696622
4-[(3-ethoxycyclobutyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136696625
5-methoxy-4-[(3-methoxycyclobutyl)amino]-1H-pyrimidin-6-one
CID 136696635
5-methoxy-4-[(1-methoxycyclobutyl)methylamino]-1H-pyrimidin-6-one
CID 136696644
4-[(2-hydroxy-4,4-dimethylpentyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136703831
4-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136847972
4-[(1-amino-4,4-dimethylpentan-3-yl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136848634

Frequently Asked Questions

What is the IUPAC name of 4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-5-methoxy-1H-pyrimidin-6-one (CID 136696615) is 4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-5-methoxy-1H-pyrimidin-6-one is CCOC1CC(Nc2nc[nH]c(=O)c2OC)C1(C)C.
What is the InChIKey of 4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is UJDSLSBDDGRTRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-5-19-9-6-8(13(9,2)3)16-11-10(18-4)12(17)15-7-14-11/h7-9H,5-6H2,1-4H3,(H2,14,15,16,17).
What are the key properties of 4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-5-methoxy-1H-pyrimidin-6-one?
4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 267.33 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 136696615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).