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

C14H23N3O2 — CID 136696623

IUPAC4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-2-ethyl-1H-pyrimidin-6-one
SMILESCCOC1CC(Nc2cc(=O)[nH]c(CC)n2)C1(C)C
InChIInChI=1S/C14H23N3O2/c1-5-11-16-12(8-13(18)17-11)15-9-7-10(19-6-2)14(9,3)4/h8-10H,5-7H2,1-4H3,(H2,15,16,17,18)
InChIKeyPAPBZRNHGDKOFX-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.95
Rot. Bonds5

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

4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-2-ethyl-1H-pyrimidin-6-one (PubChem CID 136696623) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-2-ethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-2-ethyl-1H-pyrimidin-6-one
PubChem CID136696623
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-2-ethyl-1H-pyrimidin-6-one
SMILESCCOC1CC(Nc2cc(=O)[nH]c(CC)n2)C1(C)C
InChIInChI=1S/C14H23N3O2/c1-5-11-16-12(8-13(18)17-11)15-9-7-10(19-6-2)14(9,3)4/h8-10H,5-7H2,1-4H3,(H2,15,16,17,18)
InChIKeyPAPBZRNHGDKOFX-UHFFFAOYSA-N
XLogP1.95
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136696610
2-cyclopropyl-4-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-1H-pyrimidin-6-one
CID 136696611
4-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-1H-pyrimidin-6-one
CID 136696613
2-ethyl-4-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-1H-pyrimidin-6-one
CID 136696614
4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136696617
2-cyclopropyl-4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-1H-pyrimidin-6-one
CID 136696619
4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-1H-pyrimidin-6-one
CID 136696622
4-[(3-ethoxycyclobutyl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136696624
2-cyclopropyl-4-[(3-ethoxycyclobutyl)amino]-1H-pyrimidin-6-one
CID 136696628
4-[(3-ethoxycyclobutyl)amino]-2-ethyl-1H-pyrimidin-6-one
CID 136696633
4-[(3-methoxycyclobutyl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136696634
2-ethyl-4-[(3-methoxycyclobutyl)amino]-1H-pyrimidin-6-one
CID 136696642

Frequently Asked Questions

What is the IUPAC name of 4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-2-ethyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-2-ethyl-1H-pyrimidin-6-one (CID 136696623) is 4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-2-ethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-2-ethyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-2-ethyl-1H-pyrimidin-6-one is CCOC1CC(Nc2cc(=O)[nH]c(CC)n2)C1(C)C.
What is the InChIKey of 4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-2-ethyl-1H-pyrimidin-6-one?
The InChIKey is PAPBZRNHGDKOFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-5-11-16-12(8-13(18)17-11)15-9-7-10(19-6-2)14(9,3)4/h8-10H,5-7H2,1-4H3,(H2,15,16,17,18).
What are the key properties of 4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-2-ethyl-1H-pyrimidin-6-one?
4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-2-ethyl-1H-pyrimidin-6-one has a molecular weight of 265.36 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-2-ethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136696623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).