4-[(3-ethoxycyclobutyl)amino]-5-methoxy-1H-pyrimidin-6-one

C11H17N3O3 — CID 136696625

IUPAC4-[(3-ethoxycyclobutyl)amino]-5-methoxy-1H-pyrimidin-6-one
SMILESCCOC1CC(Nc2nc[nH]c(=O)c2OC)C1
InChIInChI=1S/C11H17N3O3/c1-3-17-8-4-7(5-8)14-10-9(16-2)11(15)13-6-12-10/h6-8H,3-5H2,1-2H3,(H2,12,13,14,15)
InChIKeyWTGVFCSZBYXRAI-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.76
Rot. Bonds5

About 4-[(3-ethoxycyclobutyl)amino]-5-methoxy-1H-pyrimidin-6-one

4-[(3-ethoxycyclobutyl)amino]-5-methoxy-1H-pyrimidin-6-one (PubChem CID 136696625) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 4-[(3-ethoxycyclobutyl)amino]-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(3-ethoxycyclobutyl)amino]-5-methoxy-1H-pyrimidin-6-one
PubChem CID136696625
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name4-[(3-ethoxycyclobutyl)amino]-5-methoxy-1H-pyrimidin-6-one
SMILESCCOC1CC(Nc2nc[nH]c(=O)c2OC)C1
InChIInChI=1S/C11H17N3O3/c1-3-17-8-4-7(5-8)14-10-9(16-2)11(15)13-6-12-10/h6-8H,3-5H2,1-2H3,(H2,12,13,14,15)
InChIKeyWTGVFCSZBYXRAI-UHFFFAOYSA-N
XLogP0.76
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(butan-2-ylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136973502
5-methoxy-4-[3-(propan-2-ylamino)propoxy]-1H-pyrimidin-6-one
CID 114586393
4-(3-aminocyclobutyl)oxy-5-methoxy-1H-pyrimidin-6-one
CID 114586548
5-methoxy-4-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-1H-pyrimidin-6-one
CID 136696608
4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136696615
4-[(3-ethoxycyclobutyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136696629
4-[(3-ethoxycyclobutyl)amino]-1H-pyrimidin-6-one
CID 136696631
5-methoxy-4-[(3-methoxycyclobutyl)amino]-1H-pyrimidin-6-one
CID 136696635
5-methoxy-4-[3-(2-methylpropoxy)propylamino]-1H-pyrimidin-6-one
CID 136764965
5-methoxy-4-[3-(2-methoxyethoxy)propylamino]-1H-pyrimidin-6-one
CID 136764974
4-[3-(cyclopropylmethoxy)propylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136764993
5-methoxy-4-(2-methoxypropylamino)-1H-pyrimidin-6-one
CID 136820288

Frequently Asked Questions

What is the IUPAC name of 4-[(3-ethoxycyclobutyl)amino]-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-[(3-ethoxycyclobutyl)amino]-5-methoxy-1H-pyrimidin-6-one (CID 136696625) is 4-[(3-ethoxycyclobutyl)amino]-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(3-ethoxycyclobutyl)amino]-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(3-ethoxycyclobutyl)amino]-5-methoxy-1H-pyrimidin-6-one is CCOC1CC(Nc2nc[nH]c(=O)c2OC)C1.
What is the InChIKey of 4-[(3-ethoxycyclobutyl)amino]-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is WTGVFCSZBYXRAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-3-17-8-4-7(5-8)14-10-9(16-2)11(15)13-6-12-10/h6-8H,3-5H2,1-2H3,(H2,12,13,14,15).
What are the key properties of 4-[(3-ethoxycyclobutyl)amino]-5-methoxy-1H-pyrimidin-6-one?
4-[(3-ethoxycyclobutyl)amino]-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 239.27 g/mol, XLogP of 0.76, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-ethoxycyclobutyl)amino]-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 136696625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).