4-(methylamino)-2-methylsulfanylpyrimidine-5-carbaldehyde;4-(methylamino)-2-methylsulfanylpyrimidin-5-ol

C13H18N6O2S2 — CID 157091027

IUPAC4-(methylamino)-2-methylsulfanylpyrimidine-5-carbaldehyde;4-(methylamino)-2-methylsulfanylpyrimidin-5-ol
SMILESCNc1nc(SC)ncc1C=O.CNc1nc(SC)ncc1O
InChIInChI=1S/C7H9N3OS.C6H9N3OS/c1-8-6-5(4-11)3-9-7(10-6)12-2;1-7-5-4(10)3-8-6(9-5)11-2/h3-4H,1-2H3,(H,8,9,10);3,10H,1-2H3,(H,7,8,9)
InChIKeyAEQXLZKLYDEEPU-UHFFFAOYSA-N
MW354.46 g/mol
LogP2.00
Rot. Bonds5

About 4-(methylamino)-2-methylsulfanylpyrimidine-5-carbaldehyde;4-(methylamino)-2-methylsulfanylpyrimidin-5-ol

4-(methylamino)-2-methylsulfanylpyrimidine-5-carbaldehyde;4-(methylamino)-2-methylsulfanylpyrimidin-5-ol (PubChem CID 157091027) has the molecular formula C13H18N6O2S2 and a molecular weight of 354.46 g/mol. Its IUPAC name is 4-(methylamino)-2-methylsulfanylpyrimidine-5-carbaldehyde;4-(methylamino)-2-methylsulfanylpyrimidin-5-ol.

Molecular Properties

Compound Name4-(methylamino)-2-methylsulfanylpyrimidine-5-carbaldehyde;4-(methylamino)-2-methylsulfanylpyrimidin-5-ol
PubChem CID157091027
Molecular FormulaC13H18N6O2S2
Molecular Weight354.46 g/mol
Exact Mass354.09
IUPAC Name4-(methylamino)-2-methylsulfanylpyrimidine-5-carbaldehyde;4-(methylamino)-2-methylsulfanylpyrimidin-5-ol
SMILESCNc1nc(SC)ncc1C=O.CNc1nc(SC)ncc1O
InChIInChI=1S/C7H9N3OS.C6H9N3OS/c1-8-6-5(4-11)3-9-7(10-6)12-2;1-7-5-4(10)3-8-6(9-5)11-2/h3-4H,1-2H3,(H,8,9,10);3,10H,1-2H3,(H,7,8,9)
InChIKeyAEQXLZKLYDEEPU-UHFFFAOYSA-N
XLogP2.00
TPSA112.92 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 4-(methylamino)-2-methylsulfanylpyrimidine-5-carbaldehyde;4-(methylamino)-2-methylsulfanylpyrimidin-5-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2,3-dihydroxypropylamino)-2-methylsulfanylpyrimidine-5-carbaldehyde
CID 10728927
5-fluoro-N-methyl-2-methylsulfanylpyrimidin-4-amine
CID 21077592
2-methylsulfanyl-4-(oxan-4-ylamino)pyrimidine-5-carbaldehyde
CID 87628203
4-(2-chloroanilino)-2-methylsulfanylpyrimidine-5-carbaldehyde
CID 28905557
CID 173112578
CID 173112578
4-[(4-methoxycyclohexyl)amino]-2-methylsulfanylpyrimidine-5-carbaldehyde
CID 169232430
4-(3-aminosulfanylanilino)-2-methylsulfanylpyrimidine-5-carbaldehyde
CID 164926217
[4-fluoro-3-[(5-formyl-2-methylsulfanylpyrimidin-4-yl)amino]phenyl]carbamic acid
CID 90374373
2-methylsulfanyl-4-morpholin-4-ylpyrimidine-5-carbaldehyde
CID 28905472
2-methylsulfanyl-4-(propan-2-ylamino)pyrimidine-5-carboxylic acid
CID 12784085
2-methylsulfanyl-4-[1-(4-nitrophenyl)ethylamino]pyrimidine-5-carbaldehyde
CID 175229399
5-[(E)-2-(2,4-difluorophenyl)sulfonylethenyl]-N-methyl-2-methylsulfanylpyrimidin-4-amine
CID 90467082

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-2-methylsulfanylpyrimidine-5-carbaldehyde;4-(methylamino)-2-methylsulfanylpyrimidin-5-ol?
The IUPAC name of 4-(methylamino)-2-methylsulfanylpyrimidine-5-carbaldehyde;4-(methylamino)-2-methylsulfanylpyrimidin-5-ol (CID 157091027) is 4-(methylamino)-2-methylsulfanylpyrimidine-5-carbaldehyde;4-(methylamino)-2-methylsulfanylpyrimidin-5-ol.
What is the SMILES notation for 4-(methylamino)-2-methylsulfanylpyrimidine-5-carbaldehyde;4-(methylamino)-2-methylsulfanylpyrimidin-5-ol?
The canonical SMILES for 4-(methylamino)-2-methylsulfanylpyrimidine-5-carbaldehyde;4-(methylamino)-2-methylsulfanylpyrimidin-5-ol is CNc1nc(SC)ncc1C=O.CNc1nc(SC)ncc1O.
What is the InChIKey of 4-(methylamino)-2-methylsulfanylpyrimidine-5-carbaldehyde;4-(methylamino)-2-methylsulfanylpyrimidin-5-ol?
The InChIKey is AEQXLZKLYDEEPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3OS.C6H9N3OS/c1-8-6-5(4-11)3-9-7(10-6)12-2;1-7-5-4(10)3-8-6(9-5)11-2/h3-4H,1-2H3,(H,8,9,10);3,10H,1-2H3,(H,7,8,9).
What are the key properties of 4-(methylamino)-2-methylsulfanylpyrimidine-5-carbaldehyde;4-(methylamino)-2-methylsulfanylpyrimidin-5-ol?
4-(methylamino)-2-methylsulfanylpyrimidine-5-carbaldehyde;4-(methylamino)-2-methylsulfanylpyrimidin-5-ol has a molecular weight of 354.46 g/mol, XLogP of 2.00, 5 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-2-methylsulfanylpyrimidine-5-carbaldehyde;4-(methylamino)-2-methylsulfanylpyrimidin-5-ol is sourced from PubChem (CID 157091027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).