formaldehyde;methanimine;N-(4-methylphenyl)-4-methylsulfanyl-5-thiophen-2-ylpyrimidin-2-amine

C18H20N4OS2 — CID 143490611

IUPACformaldehyde;methanimine;N-(4-methylphenyl)-4-methylsulfanyl-5-thiophen-2-ylpyrimidin-2-amine
SMILESC=O.CSc1nc(Nc2ccc(C)cc2)ncc1-c1cccs1.[H]N=C
InChIInChI=1S/C16H15N3S2.CH3N.CH2O/c1-11-5-7-12(8-6-11)18-16-17-10-13(15(19-16)20-2)14-4-3-9-21-14;2*1-2/h3-10H,1-2H3,(H,17,18,19);2H,1H2;1H2
InChIKeyQHSJUDAYSIDKAM-UHFFFAOYSA-N
MW372.52 g/mol
LogP5.06
Rot. Bonds4

About formaldehyde;methanimine;N-(4-methylphenyl)-4-methylsulfanyl-5-thiophen-2-ylpyrimidin-2-amine

formaldehyde;methanimine;N-(4-methylphenyl)-4-methylsulfanyl-5-thiophen-2-ylpyrimidin-2-amine (PubChem CID 143490611) has the molecular formula C18H20N4OS2 and a molecular weight of 372.52 g/mol. Its IUPAC name is formaldehyde;methanimine;N-(4-methylphenyl)-4-methylsulfanyl-5-thiophen-2-ylpyrimidin-2-amine.

Molecular Properties

Compound Nameformaldehyde;methanimine;N-(4-methylphenyl)-4-methylsulfanyl-5-thiophen-2-ylpyrimidin-2-amine
PubChem CID143490611
Molecular FormulaC18H20N4OS2
Molecular Weight372.52 g/mol
Exact Mass372.11
IUPAC Nameformaldehyde;methanimine;N-(4-methylphenyl)-4-methylsulfanyl-5-thiophen-2-ylpyrimidin-2-amine
SMILESC=O.CSc1nc(Nc2ccc(C)cc2)ncc1-c1cccs1.[H]N=C
InChIInChI=1S/C16H15N3S2.CH3N.CH2O/c1-11-5-7-12(8-6-11)18-16-17-10-13(15(19-16)20-2)14-4-3-9-21-14;2*1-2/h3-10H,1-2H3,(H,17,18,19);2H,1H2;1H2
InChIKeyQHSJUDAYSIDKAM-UHFFFAOYSA-N
XLogP5.06
TPSA78.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.52
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze formaldehyde;methanimine;N-(4-methylphenyl)-4-methylsulfanyl-5-thiophen-2-ylpyrimidin-2-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of formaldehyde;methanimine;N-(4-methylphenyl)-4-methylsulfanyl-5-thiophen-2-ylpyrimidin-2-amine?
The IUPAC name of formaldehyde;methanimine;N-(4-methylphenyl)-4-methylsulfanyl-5-thiophen-2-ylpyrimidin-2-amine (CID 143490611) is formaldehyde;methanimine;N-(4-methylphenyl)-4-methylsulfanyl-5-thiophen-2-ylpyrimidin-2-amine.
What is the SMILES notation for formaldehyde;methanimine;N-(4-methylphenyl)-4-methylsulfanyl-5-thiophen-2-ylpyrimidin-2-amine?
The canonical SMILES for formaldehyde;methanimine;N-(4-methylphenyl)-4-methylsulfanyl-5-thiophen-2-ylpyrimidin-2-amine is C=O.CSc1nc(Nc2ccc(C)cc2)ncc1-c1cccs1.[H]N=C.
What is the InChIKey of formaldehyde;methanimine;N-(4-methylphenyl)-4-methylsulfanyl-5-thiophen-2-ylpyrimidin-2-amine?
The InChIKey is QHSJUDAYSIDKAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3S2.CH3N.CH2O/c1-11-5-7-12(8-6-11)18-16-17-10-13(15(19-16)20-2)14-4-3-9-21-14;2*1-2/h3-10H,1-2H3,(H,17,18,19);2H,1H2;1H2.
What are the key properties of formaldehyde;methanimine;N-(4-methylphenyl)-4-methylsulfanyl-5-thiophen-2-ylpyrimidin-2-amine?
formaldehyde;methanimine;N-(4-methylphenyl)-4-methylsulfanyl-5-thiophen-2-ylpyrimidin-2-amine has a molecular weight of 372.52 g/mol, XLogP of 5.06, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;methanimine;N-(4-methylphenyl)-4-methylsulfanyl-5-thiophen-2-ylpyrimidin-2-amine is sourced from PubChem (CID 143490611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).