2-methylsulfanyl-4-morpholin-4-ylpyrimidine-5-carbaldehyde

C10H13N3O2S — CID 28905472

IUPAC2-methylsulfanyl-4-morpholin-4-ylpyrimidine-5-carbaldehyde
SMILESCSc1ncc(C=O)c(N2CCOCC2)n1
InChIInChI=1S/C10H13N3O2S/c1-16-10-11-6-8(7-14)9(12-10)13-2-4-15-5-3-13/h6-7H,2-5H2,1H3
InChIKeyPWYBHFQLIHYEMD-UHFFFAOYSA-N
MW239.30 g/mol
LogP0.85
Rot. Bonds3

About 2-methylsulfanyl-4-morpholin-4-ylpyrimidine-5-carbaldehyde

2-methylsulfanyl-4-morpholin-4-ylpyrimidine-5-carbaldehyde (PubChem CID 28905472) has the molecular formula C10H13N3O2S and a molecular weight of 239.30 g/mol. Its IUPAC name is 2-methylsulfanyl-4-morpholin-4-ylpyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name2-methylsulfanyl-4-morpholin-4-ylpyrimidine-5-carbaldehyde
PubChem CID28905472
Molecular FormulaC10H13N3O2S
Molecular Weight239.30 g/mol
Exact Mass239.07
IUPAC Name2-methylsulfanyl-4-morpholin-4-ylpyrimidine-5-carbaldehyde
SMILESCSc1ncc(C=O)c(N2CCOCC2)n1
InChIInChI=1S/C10H13N3O2S/c1-16-10-11-6-8(7-14)9(12-10)13-2-4-15-5-3-13/h6-7H,2-5H2,1H3
InChIKeyPWYBHFQLIHYEMD-UHFFFAOYSA-N
XLogP0.85
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-methylsulfanyl-4-(oxan-4-ylamino)pyrimidine-5-carbaldehyde
CID 87628203
6-morpholin-4-yl-4,5-dinitrosopyridine-3-carbaldehyde
CID 174667460
4-[2-(4-fluorophenyl)ethynyl]-2-methylsulfanyl-6-morpholin-4-ylpyrimidine-5-carbaldehyde
CID 25172125
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methylsulfanyl-4-morpholin-4-ylpyrimidine-5-carboxamide
CID 142592652
N-[(2,4-dimethoxyphenyl)methyl]-2-methylsulfanyl-4-morpholin-4-ylpyrimidine-5-carboxamide
CID 142592642
4-(2-methylsulfanylquinazolin-4-yl)morpholine
CID 658307
2-[1-(5-bromo-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]-N-(oxan-4-yl)acetamide
CID 165431697
N-[(3Z,5E)-5,7-dimethoxyocta-3,5,7-trienyl]-2-methylsulfanyl-4-morpholin-4-ylpyrimidine-5-carboxamide
CID 155132280
2-ethylsulfanyl-4-morpholin-4-yl-6-pyrrolidin-1-ylpyrimidine-5-carbaldehyde
CID 100514983
2-methyl-6-morpholin-4-ylpyridine-3-carbaldehyde
CID 102544177
N-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]formamide
CID 143431084
4-[2-methylsulfanyl-9-(oxolan-2-yl)purin-6-yl]morpholine
CID 10639510

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-4-morpholin-4-ylpyrimidine-5-carbaldehyde?
The IUPAC name of 2-methylsulfanyl-4-morpholin-4-ylpyrimidine-5-carbaldehyde (CID 28905472) is 2-methylsulfanyl-4-morpholin-4-ylpyrimidine-5-carbaldehyde.
What is the SMILES notation for 2-methylsulfanyl-4-morpholin-4-ylpyrimidine-5-carbaldehyde?
The canonical SMILES for 2-methylsulfanyl-4-morpholin-4-ylpyrimidine-5-carbaldehyde is CSc1ncc(C=O)c(N2CCOCC2)n1.
What is the InChIKey of 2-methylsulfanyl-4-morpholin-4-ylpyrimidine-5-carbaldehyde?
The InChIKey is PWYBHFQLIHYEMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2S/c1-16-10-11-6-8(7-14)9(12-10)13-2-4-15-5-3-13/h6-7H,2-5H2,1H3.
What are the key properties of 2-methylsulfanyl-4-morpholin-4-ylpyrimidine-5-carbaldehyde?
2-methylsulfanyl-4-morpholin-4-ylpyrimidine-5-carbaldehyde has a molecular weight of 239.30 g/mol, XLogP of 0.85, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-4-morpholin-4-ylpyrimidine-5-carbaldehyde is sourced from PubChem (CID 28905472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).