N-(4-amino-2-methylpyrimidin-5-yl)-2-(4-aminophenyl)sulfanyl-N-methylbenzamide

C19H19N5OS — CID 139913870

IUPACN-(4-amino-2-methylpyrimidin-5-yl)-2-(4-aminophenyl)sulfanyl-N-methylbenzamide
SMILESCc1ncc(N(C)C(=O)c2ccccc2Sc2ccc(N)cc2)c(N)n1
InChIInChI=1S/C19H19N5OS/c1-12-22-11-16(18(21)23-12)24(2)19(25)15-5-3-4-6-17(15)26-14-9-7-13(20)8-10-14/h3-11H,20H2,1-2H3,(H2,21,22,23)
InChIKeyLZCVTUUGSFOHGT-UHFFFAOYSA-N
MW365.46 g/mol
LogP3.38
Rot. Bonds4

About N-(4-amino-2-methylpyrimidin-5-yl)-2-(4-aminophenyl)sulfanyl-N-methylbenzamide

N-(4-amino-2-methylpyrimidin-5-yl)-2-(4-aminophenyl)sulfanyl-N-methylbenzamide (PubChem CID 139913870) has the molecular formula C19H19N5OS and a molecular weight of 365.46 g/mol. Its IUPAC name is N-(4-amino-2-methylpyrimidin-5-yl)-2-(4-aminophenyl)sulfanyl-N-methylbenzamide.

Molecular Properties

Compound NameN-(4-amino-2-methylpyrimidin-5-yl)-2-(4-aminophenyl)sulfanyl-N-methylbenzamide
PubChem CID139913870
Molecular FormulaC19H19N5OS
Molecular Weight365.46 g/mol
Exact Mass365.13
IUPAC NameN-(4-amino-2-methylpyrimidin-5-yl)-2-(4-aminophenyl)sulfanyl-N-methylbenzamide
SMILESCc1ncc(N(C)C(=O)c2ccccc2Sc2ccc(N)cc2)c(N)n1
InChIInChI=1S/C19H19N5OS/c1-12-22-11-16(18(21)23-12)24(2)19(25)15-5-3-4-6-17(15)26-14-9-7-13(20)8-10-14/h3-11H,20H2,1-2H3,(H2,21,22,23)
InChIKeyLZCVTUUGSFOHGT-UHFFFAOYSA-N
XLogP3.38
TPSA98.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-(4-amino-2-methylpyrimidin-5-yl)-2-(4-aminophenyl)sulfanyl-N-methylbenzamide 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 N-(4-amino-2-methylpyrimidin-5-yl)-2-(4-aminophenyl)sulfanyl-N-methylbenzamide?
The IUPAC name of N-(4-amino-2-methylpyrimidin-5-yl)-2-(4-aminophenyl)sulfanyl-N-methylbenzamide (CID 139913870) is N-(4-amino-2-methylpyrimidin-5-yl)-2-(4-aminophenyl)sulfanyl-N-methylbenzamide.
What is the SMILES notation for N-(4-amino-2-methylpyrimidin-5-yl)-2-(4-aminophenyl)sulfanyl-N-methylbenzamide?
The canonical SMILES for N-(4-amino-2-methylpyrimidin-5-yl)-2-(4-aminophenyl)sulfanyl-N-methylbenzamide is Cc1ncc(N(C)C(=O)c2ccccc2Sc2ccc(N)cc2)c(N)n1.
What is the InChIKey of N-(4-amino-2-methylpyrimidin-5-yl)-2-(4-aminophenyl)sulfanyl-N-methylbenzamide?
The InChIKey is LZCVTUUGSFOHGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5OS/c1-12-22-11-16(18(21)23-12)24(2)19(25)15-5-3-4-6-17(15)26-14-9-7-13(20)8-10-14/h3-11H,20H2,1-2H3,(H2,21,22,23).
What are the key properties of N-(4-amino-2-methylpyrimidin-5-yl)-2-(4-aminophenyl)sulfanyl-N-methylbenzamide?
N-(4-amino-2-methylpyrimidin-5-yl)-2-(4-aminophenyl)sulfanyl-N-methylbenzamide has a molecular weight of 365.46 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-methylpyrimidin-5-yl)-2-(4-aminophenyl)sulfanyl-N-methylbenzamide is sourced from PubChem (CID 139913870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).