2-propan-2-yl-4-(2,2,6,6-tetramethylmorpholin-4-yl)-1H-pyrimidin-6-one

C15H25N3O2 — CID 136822018

IUPAC2-propan-2-yl-4-(2,2,6,6-tetramethylmorpholin-4-yl)-1H-pyrimidin-6-one
SMILESCC(C)c1nc(N2CC(C)(C)OC(C)(C)C2)cc(=O)[nH]1
InChIInChI=1S/C15H25N3O2/c1-10(2)13-16-11(7-12(19)17-13)18-8-14(3,4)20-15(5,6)9-18/h7,10H,8-9H2,1-6H3,(H,16,17,19)
InChIKeyGNLHDOAKOCEECH-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.29
Rot. Bonds2

About 2-propan-2-yl-4-(2,2,6,6-tetramethylmorpholin-4-yl)-1H-pyrimidin-6-one

2-propan-2-yl-4-(2,2,6,6-tetramethylmorpholin-4-yl)-1H-pyrimidin-6-one (PubChem CID 136822018) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-propan-2-yl-4-(2,2,6,6-tetramethylmorpholin-4-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-propan-2-yl-4-(2,2,6,6-tetramethylmorpholin-4-yl)-1H-pyrimidin-6-one
PubChem CID136822018
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name2-propan-2-yl-4-(2,2,6,6-tetramethylmorpholin-4-yl)-1H-pyrimidin-6-one
SMILESCC(C)c1nc(N2CC(C)(C)OC(C)(C)C2)cc(=O)[nH]1
InChIInChI=1S/C15H25N3O2/c1-10(2)13-16-11(7-12(19)17-13)18-8-14(3,4)20-15(5,6)9-18/h7,10H,8-9H2,1-6H3,(H,16,17,19)
InChIKeyGNLHDOAKOCEECH-UHFFFAOYSA-N
XLogP2.29
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-propan-2-yl-4-(2,2,6,6-tetramethylmorpholin-4-yl)-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

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-4-(2,2,6,6-tetramethylmorpholin-4-yl)-1H-pyrimidin-6-one?
The IUPAC name of 2-propan-2-yl-4-(2,2,6,6-tetramethylmorpholin-4-yl)-1H-pyrimidin-6-one (CID 136822018) is 2-propan-2-yl-4-(2,2,6,6-tetramethylmorpholin-4-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-propan-2-yl-4-(2,2,6,6-tetramethylmorpholin-4-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-propan-2-yl-4-(2,2,6,6-tetramethylmorpholin-4-yl)-1H-pyrimidin-6-one is CC(C)c1nc(N2CC(C)(C)OC(C)(C)C2)cc(=O)[nH]1.
What is the InChIKey of 2-propan-2-yl-4-(2,2,6,6-tetramethylmorpholin-4-yl)-1H-pyrimidin-6-one?
The InChIKey is GNLHDOAKOCEECH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-10(2)13-16-11(7-12(19)17-13)18-8-14(3,4)20-15(5,6)9-18/h7,10H,8-9H2,1-6H3,(H,16,17,19).
What are the key properties of 2-propan-2-yl-4-(2,2,6,6-tetramethylmorpholin-4-yl)-1H-pyrimidin-6-one?
2-propan-2-yl-4-(2,2,6,6-tetramethylmorpholin-4-yl)-1H-pyrimidin-6-one has a molecular weight of 279.38 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-4-(2,2,6,6-tetramethylmorpholin-4-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136822018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).