4-chloro-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrimidine-5-carbaldehyde

C11H14ClN3O2 — CID 104959220

IUPAC4-chloro-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrimidine-5-carbaldehyde
SMILESC[C@@H]1CN(c2ncnc(Cl)c2C=O)C[C@H](C)O1
InChIInChI=1S/C11H14ClN3O2/c1-7-3-15(4-8(2)17-7)11-9(5-16)10(12)13-6-14-11/h5-8H,3-4H2,1-2H3/t7-,8+
InChIKeyVTRNWOWRXFRXDQ-OCAPTIKFSA-N
MW255.70 g/mol
LogP1.56
Rot. Bonds2

About 4-chloro-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrimidine-5-carbaldehyde

4-chloro-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrimidine-5-carbaldehyde (PubChem CID 104959220) has the molecular formula C11H14ClN3O2 and a molecular weight of 255.70 g/mol. Its IUPAC name is 4-chloro-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name4-chloro-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrimidine-5-carbaldehyde
PubChem CID104959220
Molecular FormulaC11H14ClN3O2
Molecular Weight255.70 g/mol
Exact Mass255.08
IUPAC Name4-chloro-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrimidine-5-carbaldehyde
SMILESC[C@@H]1CN(c2ncnc(Cl)c2C=O)C[C@H](C)O1
InChIInChI=1S/C11H14ClN3O2/c1-7-3-15(4-8(2)17-7)11-9(5-16)10(12)13-6-14-11/h5-8H,3-4H2,1-2H3/t7-,8+
InChIKeyVTRNWOWRXFRXDQ-OCAPTIKFSA-N
XLogP1.56
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.70
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4-chloro-6-(3-hydroxyazetidin-1-yl)pyrimidine-5-carbaldehyde
CID 130995551
4-(6-chloro-5-propylpyrimidin-4-yl)-2,6-dimethylmorpholine
CID 55230444
(2S,6R)-4-(6-chloro-5-ethylpyrimidin-4-yl)-2,6-dimethylmorpholine
CID 104959798
4-chloro-6-(3-hydroxypiperidin-1-yl)pyrimidine-5-carbaldehyde
CID 66336646
4-chloro-6-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]pyrimidine-5-carbaldehyde
CID 114777268
4-chloro-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidine-5-carbaldehyde
CID 66367551
1-(6-chloro-5-formylpyrimidin-4-yl)piperidine-4-carboxamide
CID 66336044
6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N,5-dimethylpyrimidin-4-amine
CID 104961748
4-(4-acetyl-1,4-diazepan-1-yl)-6-chloropyrimidine-5-carbaldehyde
CID 66368769
[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-methylpyrimidin-4-yl]hydrazine
CID 104961881
[4-(6-chloro-5-ethylpyrimidin-4-yl)-6-methylmorpholin-2-yl]methanol
CID 102933974
4-chloro-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-5-carbaldehyde
CID 66336040

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrimidine-5-carbaldehyde?
The IUPAC name of 4-chloro-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrimidine-5-carbaldehyde (CID 104959220) is 4-chloro-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrimidine-5-carbaldehyde.
What is the SMILES notation for 4-chloro-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrimidine-5-carbaldehyde?
The canonical SMILES for 4-chloro-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrimidine-5-carbaldehyde is C[C@@H]1CN(c2ncnc(Cl)c2C=O)C[C@H](C)O1.
What is the InChIKey of 4-chloro-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrimidine-5-carbaldehyde?
The InChIKey is VTRNWOWRXFRXDQ-OCAPTIKFSA-N. The full InChI is InChI=1S/C11H14ClN3O2/c1-7-3-15(4-8(2)17-7)11-9(5-16)10(12)13-6-14-11/h5-8H,3-4H2,1-2H3/t7-,8+.
What are the key properties of 4-chloro-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrimidine-5-carbaldehyde?
4-chloro-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrimidine-5-carbaldehyde has a molecular weight of 255.70 g/mol, XLogP of 1.56, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrimidine-5-carbaldehyde is sourced from PubChem (CID 104959220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).