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

C15H25N3O2 — CID 136696617

IUPAC4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCCOC1CC(Nc2cc(=O)[nH]c(C(C)C)n2)C1(C)C
InChIInChI=1S/C15H25N3O2/c1-6-20-11-7-10(15(11,4)5)16-12-8-13(19)18-14(17-12)9(2)3/h8-11H,6-7H2,1-5H3,(H2,16,17,18,19)
InChIKeyBXYAOPFIXUYDGN-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.51
Rot. Bonds5

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

4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 136696617) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID136696617
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCCOC1CC(Nc2cc(=O)[nH]c(C(C)C)n2)C1(C)C
InChIInChI=1S/C15H25N3O2/c1-6-20-11-7-10(15(11,4)5)16-12-8-13(19)18-14(17-12)9(2)3/h8-11H,6-7H2,1-5H3,(H2,16,17,18,19)
InChIKeyBXYAOPFIXUYDGN-UHFFFAOYSA-N
XLogP2.51
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one (CID 136696617) is 4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one is CCOC1CC(Nc2cc(=O)[nH]c(C(C)C)n2)C1(C)C.
What is the InChIKey of 4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is BXYAOPFIXUYDGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-6-20-11-7-10(15(11,4)5)16-12-8-13(19)18-14(17-12)9(2)3/h8-11H,6-7H2,1-5H3,(H2,16,17,18,19).
What are the key properties of 4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one?
4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 279.38 g/mol, XLogP of 2.51, 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-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136696617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).