2-(2-chloro-5-methyl-6-morpholin-4-ylpyrimidin-4-yl)sulfanylacetaldehyde

C11H14ClN3O2S — CID 130253081

IUPAC2-(2-chloro-5-methyl-6-morpholin-4-ylpyrimidin-4-yl)sulfanylacetaldehyde
SMILESCc1c(SCC=O)nc(Cl)nc1N1CCOCC1
InChIInChI=1S/C11H14ClN3O2S/c1-8-9(15-2-5-17-6-3-15)13-11(12)14-10(8)18-7-4-16/h4H,2-3,5-7H2,1H3
InChIKeyFJTLRQYHEAWLIY-UHFFFAOYSA-N
MW287.77 g/mol
LogP1.57
Rot. Bonds4

About 2-(2-chloro-5-methyl-6-morpholin-4-ylpyrimidin-4-yl)sulfanylacetaldehyde

2-(2-chloro-5-methyl-6-morpholin-4-ylpyrimidin-4-yl)sulfanylacetaldehyde (PubChem CID 130253081) has the molecular formula C11H14ClN3O2S and a molecular weight of 287.77 g/mol. Its IUPAC name is 2-(2-chloro-5-methyl-6-morpholin-4-ylpyrimidin-4-yl)sulfanylacetaldehyde.

Molecular Properties

Compound Name2-(2-chloro-5-methyl-6-morpholin-4-ylpyrimidin-4-yl)sulfanylacetaldehyde
PubChem CID130253081
Molecular FormulaC11H14ClN3O2S
Molecular Weight287.77 g/mol
Exact Mass287.05
IUPAC Name2-(2-chloro-5-methyl-6-morpholin-4-ylpyrimidin-4-yl)sulfanylacetaldehyde
SMILESCc1c(SCC=O)nc(Cl)nc1N1CCOCC1
InChIInChI=1S/C11H14ClN3O2S/c1-8-9(15-2-5-17-6-3-15)13-11(12)14-10(8)18-7-4-16/h4H,2-3,5-7H2,1H3
InChIKeyFJTLRQYHEAWLIY-UHFFFAOYSA-N
XLogP1.57
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.77
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-methyl-6-morpholin-4-ylpyrimidin-4-yl)sulfanylacetaldehyde?
The IUPAC name of 2-(2-chloro-5-methyl-6-morpholin-4-ylpyrimidin-4-yl)sulfanylacetaldehyde (CID 130253081) is 2-(2-chloro-5-methyl-6-morpholin-4-ylpyrimidin-4-yl)sulfanylacetaldehyde.
What is the SMILES notation for 2-(2-chloro-5-methyl-6-morpholin-4-ylpyrimidin-4-yl)sulfanylacetaldehyde?
The canonical SMILES for 2-(2-chloro-5-methyl-6-morpholin-4-ylpyrimidin-4-yl)sulfanylacetaldehyde is Cc1c(SCC=O)nc(Cl)nc1N1CCOCC1.
What is the InChIKey of 2-(2-chloro-5-methyl-6-morpholin-4-ylpyrimidin-4-yl)sulfanylacetaldehyde?
The InChIKey is FJTLRQYHEAWLIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O2S/c1-8-9(15-2-5-17-6-3-15)13-11(12)14-10(8)18-7-4-16/h4H,2-3,5-7H2,1H3.
What are the key properties of 2-(2-chloro-5-methyl-6-morpholin-4-ylpyrimidin-4-yl)sulfanylacetaldehyde?
2-(2-chloro-5-methyl-6-morpholin-4-ylpyrimidin-4-yl)sulfanylacetaldehyde has a molecular weight of 287.77 g/mol, XLogP of 1.57, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-methyl-6-morpholin-4-ylpyrimidin-4-yl)sulfanylacetaldehyde is sourced from PubChem (CID 130253081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).