6-(4,6-dimethylpyrimidin-2-yl)sulfanylpyridine-3-carbaldehyde

C12H11N3OS — CID 80640673

IUPAC6-(4,6-dimethylpyrimidin-2-yl)sulfanylpyridine-3-carbaldehyde
SMILESCc1cc(C)nc(Sc2ccc(C=O)cn2)n1
InChIInChI=1S/C12H11N3OS/c1-8-5-9(2)15-12(14-8)17-11-4-3-10(7-16)6-13-11/h3-7H,1-2H3
InChIKeyQMHTYISNAOMWTD-UHFFFAOYSA-N
MW245.31 g/mol
LogP2.45
Rot. Bonds3

About 6-(4,6-dimethylpyrimidin-2-yl)sulfanylpyridine-3-carbaldehyde

6-(4,6-dimethylpyrimidin-2-yl)sulfanylpyridine-3-carbaldehyde (PubChem CID 80640673) has the molecular formula C12H11N3OS and a molecular weight of 245.31 g/mol. Its IUPAC name is 6-(4,6-dimethylpyrimidin-2-yl)sulfanylpyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-(4,6-dimethylpyrimidin-2-yl)sulfanylpyridine-3-carbaldehyde
PubChem CID80640673
Molecular FormulaC12H11N3OS
Molecular Weight245.31 g/mol
Exact Mass245.06
IUPAC Name6-(4,6-dimethylpyrimidin-2-yl)sulfanylpyridine-3-carbaldehyde
SMILESCc1cc(C)nc(Sc2ccc(C=O)cn2)n1
InChIInChI=1S/C12H11N3OS/c1-8-5-9(2)15-12(14-8)17-11-4-3-10(7-16)6-13-11/h3-7H,1-2H3
InChIKeyQMHTYISNAOMWTD-UHFFFAOYSA-N
XLogP2.45
TPSA55.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.31
LogP ≤ 52.45
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

6-(4-propan-2-ylphenyl)sulfanylpyridine-3-carbaldehyde
CID 80639523
6-[(5-bromo-2-pyridinyl)sulfanyl]pyridine-3-carbaldehyde
CID 80639451
6-ethylsulfanylpyridine-3-carbaldehyde
CID 80639990
6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyridine-3-carbaldehyde
CID 80639652
6-quinazolin-4-ylsulfanylpyridine-3-carbaldehyde
CID 80640178
6-(trideuteriomethyl)pyridine-3-carbaldehyde
CID 59327566
2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethylsulfanyl]-4,6-dimethylpyrimidine
CID 802777
[6-[(5-formyl-2-pyridinyl)disulfanyl]-3-pyridinyl] formate
CID 164800287
5-methyl-6-pyridin-2-ylsulfanylpyridine-3-carbaldehyde
CID 80640360
4-pyrimidin-4-ylsulfanylbenzaldehyde
CID 63802248
5-methyl-6-naphthalen-2-ylsulfanylpyridine-3-carbaldehyde
CID 80640768
6-[(S)-methylsulfinyl]pyridine-3-carbaldehyde
CID 129383923

Frequently Asked Questions

What is the IUPAC name of 6-(4,6-dimethylpyrimidin-2-yl)sulfanylpyridine-3-carbaldehyde?
The IUPAC name of 6-(4,6-dimethylpyrimidin-2-yl)sulfanylpyridine-3-carbaldehyde (CID 80640673) is 6-(4,6-dimethylpyrimidin-2-yl)sulfanylpyridine-3-carbaldehyde.
What is the SMILES notation for 6-(4,6-dimethylpyrimidin-2-yl)sulfanylpyridine-3-carbaldehyde?
The canonical SMILES for 6-(4,6-dimethylpyrimidin-2-yl)sulfanylpyridine-3-carbaldehyde is Cc1cc(C)nc(Sc2ccc(C=O)cn2)n1.
What is the InChIKey of 6-(4,6-dimethylpyrimidin-2-yl)sulfanylpyridine-3-carbaldehyde?
The InChIKey is QMHTYISNAOMWTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3OS/c1-8-5-9(2)15-12(14-8)17-11-4-3-10(7-16)6-13-11/h3-7H,1-2H3.
What are the key properties of 6-(4,6-dimethylpyrimidin-2-yl)sulfanylpyridine-3-carbaldehyde?
6-(4,6-dimethylpyrimidin-2-yl)sulfanylpyridine-3-carbaldehyde has a molecular weight of 245.31 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4,6-dimethylpyrimidin-2-yl)sulfanylpyridine-3-carbaldehyde is sourced from PubChem (CID 80640673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).