3-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-2-(3,5-dimethylpyrazol-1-yl)-5,6-dimethylpyrimidin-4-one

C19H27N5O3 — CID 7588278

IUPAC3-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-2-(3,5-dimethylpyrazol-1-yl)-5,6-dimethylpyrimidin-4-one
SMILESCc1cc(C)n(-c2nc(C)c(C)c(=O)n2CC(=O)N2C[C@@H](C)O[C@@H](C)C2)n1
InChIInChI=1S/C19H27N5O3/c1-11-7-12(2)24(21-11)19-20-16(6)15(5)18(26)23(19)10-17(25)22-8-13(3)27-14(4)9-22/h7,13-14H,8-10H2,1-6H3/t13-,14+
InChIKeyFYEOYDOWWFSEGP-OKILXGFUSA-N
MW373.46 g/mol
LogP1.30
Rot. Bonds3

About 3-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-2-(3,5-dimethylpyrazol-1-yl)-5,6-dimethylpyrimidin-4-one

3-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-2-(3,5-dimethylpyrazol-1-yl)-5,6-dimethylpyrimidin-4-one (PubChem CID 7588278) has the molecular formula C19H27N5O3 and a molecular weight of 373.46 g/mol. Its IUPAC name is 3-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-2-(3,5-dimethylpyrazol-1-yl)-5,6-dimethylpyrimidin-4-one.

Molecular Properties

Compound Name3-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-2-(3,5-dimethylpyrazol-1-yl)-5,6-dimethylpyrimidin-4-one
PubChem CID7588278
Molecular FormulaC19H27N5O3
Molecular Weight373.46 g/mol
Exact Mass373.21
IUPAC Name3-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-2-(3,5-dimethylpyrazol-1-yl)-5,6-dimethylpyrimidin-4-one
SMILESCc1cc(C)n(-c2nc(C)c(C)c(=O)n2CC(=O)N2C[C@@H](C)O[C@@H](C)C2)n1
InChIInChI=1S/C19H27N5O3/c1-11-7-12(2)24(21-11)19-20-16(6)15(5)18(26)23(19)10-17(25)22-8-13(3)27-14(4)9-22/h7,13-14H,8-10H2,1-6H3/t13-,14+
InChIKeyFYEOYDOWWFSEGP-OKILXGFUSA-N
XLogP1.30
TPSA82.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-2-(3,5-dimethylpyrazol-1-yl)-5,6-dimethylpyrimidin-4-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 3-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-2-(3,5-dimethylpyrazol-1-yl)-5,6-dimethylpyrimidin-4-one?
The IUPAC name of 3-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-2-(3,5-dimethylpyrazol-1-yl)-5,6-dimethylpyrimidin-4-one (CID 7588278) is 3-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-2-(3,5-dimethylpyrazol-1-yl)-5,6-dimethylpyrimidin-4-one.
What is the SMILES notation for 3-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-2-(3,5-dimethylpyrazol-1-yl)-5,6-dimethylpyrimidin-4-one?
The canonical SMILES for 3-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-2-(3,5-dimethylpyrazol-1-yl)-5,6-dimethylpyrimidin-4-one is Cc1cc(C)n(-c2nc(C)c(C)c(=O)n2CC(=O)N2C[C@@H](C)O[C@@H](C)C2)n1.
What is the InChIKey of 3-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-2-(3,5-dimethylpyrazol-1-yl)-5,6-dimethylpyrimidin-4-one?
The InChIKey is FYEOYDOWWFSEGP-OKILXGFUSA-N. The full InChI is InChI=1S/C19H27N5O3/c1-11-7-12(2)24(21-11)19-20-16(6)15(5)18(26)23(19)10-17(25)22-8-13(3)27-14(4)9-22/h7,13-14H,8-10H2,1-6H3/t13-,14+.
What are the key properties of 3-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-2-(3,5-dimethylpyrazol-1-yl)-5,6-dimethylpyrimidin-4-one?
3-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-2-(3,5-dimethylpyrazol-1-yl)-5,6-dimethylpyrimidin-4-one has a molecular weight of 373.46 g/mol, XLogP of 1.30, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-2-(3,5-dimethylpyrazol-1-yl)-5,6-dimethylpyrimidin-4-one is sourced from PubChem (CID 7588278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).