2-methylsulfanyl-1,4-dihydropyrimidine-5-carbaldehyde

C6H8N2OS — CID 155085565

IUPAC2-methylsulfanyl-1,4-dihydropyrimidine-5-carbaldehyde
SMILESCSC1=NCC(C=O)=CN1
InChIInChI=1S/C6H8N2OS/c1-10-6-7-2-5(4-9)3-8-6/h2,4H,3H2,1H3,(H,7,8)
InChIKeyIVIYUFAULQBICF-UHFFFAOYSA-N
MW156.21 g/mol
LogP0.39
Rot. Bonds1

About 2-methylsulfanyl-1,4-dihydropyrimidine-5-carbaldehyde

2-methylsulfanyl-1,4-dihydropyrimidine-5-carbaldehyde (PubChem CID 155085565) has the molecular formula C6H8N2OS and a molecular weight of 156.21 g/mol. Its IUPAC name is 2-methylsulfanyl-1,4-dihydropyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name2-methylsulfanyl-1,4-dihydropyrimidine-5-carbaldehyde
PubChem CID155085565
Molecular FormulaC6H8N2OS
Molecular Weight156.21 g/mol
Exact Mass156.04
IUPAC Name2-methylsulfanyl-1,4-dihydropyrimidine-5-carbaldehyde
SMILESCSC1=NCC(C=O)=CN1
InChIInChI=1S/C6H8N2OS/c1-10-6-7-2-5(4-9)3-8-6/h2,4H,3H2,1H3,(H,7,8)
InChIKeyIVIYUFAULQBICF-UHFFFAOYSA-N
XLogP0.39
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.21
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 143730569
CID 143730569
CID 83876552
CID 83876552

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-1,4-dihydropyrimidine-5-carbaldehyde?
The IUPAC name of 2-methylsulfanyl-1,4-dihydropyrimidine-5-carbaldehyde (CID 155085565) is 2-methylsulfanyl-1,4-dihydropyrimidine-5-carbaldehyde.
What is the SMILES notation for 2-methylsulfanyl-1,4-dihydropyrimidine-5-carbaldehyde?
The canonical SMILES for 2-methylsulfanyl-1,4-dihydropyrimidine-5-carbaldehyde is CSC1=NCC(C=O)=CN1.
What is the InChIKey of 2-methylsulfanyl-1,4-dihydropyrimidine-5-carbaldehyde?
The InChIKey is IVIYUFAULQBICF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2OS/c1-10-6-7-2-5(4-9)3-8-6/h2,4H,3H2,1H3,(H,7,8).
What are the key properties of 2-methylsulfanyl-1,4-dihydropyrimidine-5-carbaldehyde?
2-methylsulfanyl-1,4-dihydropyrimidine-5-carbaldehyde has a molecular weight of 156.21 g/mol, XLogP of 0.39, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-1,4-dihydropyrimidine-5-carbaldehyde is sourced from PubChem (CID 155085565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).