(4-cyclopropyl-2-methylpyrimidin-5-yl)-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]methanone

C17H25N3O3 — CID 129484599

IUPAC(4-cyclopropyl-2-methylpyrimidin-5-yl)-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
SMILESCOC[C@@H]1CN(C(=O)c2cnc(C)nc2C2CC2)CC(C)(C)O1
InChIInChI=1S/C17H25N3O3/c1-11-18-7-14(15(19-11)12-5-6-12)16(21)20-8-13(9-22-4)23-17(2,3)10-20/h7,12-13H,5-6,8-10H2,1-4H3/t13-/m0/s1
InChIKeyGUSFWASTWAXLJU-ZDUSSCGKSA-N
MW319.41 g/mol
LogP1.93
Rot. Bonds4

About (4-cyclopropyl-2-methylpyrimidin-5-yl)-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]methanone

(4-cyclopropyl-2-methylpyrimidin-5-yl)-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]methanone (PubChem CID 129484599) has the molecular formula C17H25N3O3 and a molecular weight of 319.41 g/mol. Its IUPAC name is (4-cyclopropyl-2-methylpyrimidin-5-yl)-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name(4-cyclopropyl-2-methylpyrimidin-5-yl)-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
PubChem CID129484599
Molecular FormulaC17H25N3O3
Molecular Weight319.41 g/mol
Exact Mass319.19
IUPAC Name(4-cyclopropyl-2-methylpyrimidin-5-yl)-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
SMILESCOC[C@@H]1CN(C(=O)c2cnc(C)nc2C2CC2)CC(C)(C)O1
InChIInChI=1S/C17H25N3O3/c1-11-18-7-14(15(19-11)12-5-6-12)16(21)20-8-13(9-22-4)23-17(2,3)10-20/h7,12-13H,5-6,8-10H2,1-4H3/t13-/m0/s1
InChIKeyGUSFWASTWAXLJU-ZDUSSCGKSA-N
XLogP1.93
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4-cyclopropyl-2-methylpyrimidin-5-yl)-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]methanone 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 (4-cyclopropyl-2-methylpyrimidin-5-yl)-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]methanone?
The IUPAC name of (4-cyclopropyl-2-methylpyrimidin-5-yl)-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]methanone (CID 129484599) is (4-cyclopropyl-2-methylpyrimidin-5-yl)-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]methanone.
What is the SMILES notation for (4-cyclopropyl-2-methylpyrimidin-5-yl)-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]methanone?
The canonical SMILES for (4-cyclopropyl-2-methylpyrimidin-5-yl)-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]methanone is COC[C@@H]1CN(C(=O)c2cnc(C)nc2C2CC2)CC(C)(C)O1.
What is the InChIKey of (4-cyclopropyl-2-methylpyrimidin-5-yl)-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]methanone?
The InChIKey is GUSFWASTWAXLJU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-11-18-7-14(15(19-11)12-5-6-12)16(21)20-8-13(9-22-4)23-17(2,3)10-20/h7,12-13H,5-6,8-10H2,1-4H3/t13-/m0/s1.
What are the key properties of (4-cyclopropyl-2-methylpyrimidin-5-yl)-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]methanone?
(4-cyclopropyl-2-methylpyrimidin-5-yl)-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]methanone has a molecular weight of 319.41 g/mol, XLogP of 1.93, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopropyl-2-methylpyrimidin-5-yl)-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]methanone is sourced from PubChem (CID 129484599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).