2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-methyl-6-propan-2-ylpyrimidin-4-one

C14H23N3O2 — CID 176666582

IUPAC2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-methyl-6-propan-2-ylpyrimidin-4-one
SMILESCC(C)c1cc(=O)n(C)c(N2C[C@@H](C)O[C@@H](C)C2)n1
InChIInChI=1S/C14H23N3O2/c1-9(2)12-6-13(18)16(5)14(15-12)17-7-10(3)19-11(4)8-17/h6,9-11H,7-8H2,1-5H3/t10-,11+
InChIKeyBCFGCGUSSLJNLB-PHIMTYICSA-N
MW265.36 g/mol
LogP1.52
Rot. Bonds2

About 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-methyl-6-propan-2-ylpyrimidin-4-one

2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-methyl-6-propan-2-ylpyrimidin-4-one (PubChem CID 176666582) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-methyl-6-propan-2-ylpyrimidin-4-one.

Molecular Properties

Compound Name2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-methyl-6-propan-2-ylpyrimidin-4-one
PubChem CID176666582
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-methyl-6-propan-2-ylpyrimidin-4-one
SMILESCC(C)c1cc(=O)n(C)c(N2C[C@@H](C)O[C@@H](C)C2)n1
InChIInChI=1S/C14H23N3O2/c1-9(2)12-6-13(18)16(5)14(15-12)17-7-10(3)19-11(4)8-17/h6,9-11H,7-8H2,1-5H3/t10-,11+
InChIKeyBCFGCGUSSLJNLB-PHIMTYICSA-N
XLogP1.52
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-methyl-6-propan-2-ylpyrimidin-4-one?
The IUPAC name of 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-methyl-6-propan-2-ylpyrimidin-4-one (CID 176666582) is 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-methyl-6-propan-2-ylpyrimidin-4-one.
What is the SMILES notation for 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-methyl-6-propan-2-ylpyrimidin-4-one?
The canonical SMILES for 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-methyl-6-propan-2-ylpyrimidin-4-one is CC(C)c1cc(=O)n(C)c(N2C[C@@H](C)O[C@@H](C)C2)n1.
What is the InChIKey of 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-methyl-6-propan-2-ylpyrimidin-4-one?
The InChIKey is BCFGCGUSSLJNLB-PHIMTYICSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-9(2)12-6-13(18)16(5)14(15-12)17-7-10(3)19-11(4)8-17/h6,9-11H,7-8H2,1-5H3/t10-,11+.
What are the key properties of 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-methyl-6-propan-2-ylpyrimidin-4-one?
2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-methyl-6-propan-2-ylpyrimidin-4-one has a molecular weight of 265.36 g/mol, XLogP of 1.52, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-methyl-6-propan-2-ylpyrimidin-4-one is sourced from PubChem (CID 176666582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).