4-(2-amino-6-methoxypyrimidin-4-yl)-N-[2-(methanesulfonamido)ethyl]benzamide

C15H19N5O4S — CID 119061614

IUPAC4-(2-amino-6-methoxypyrimidin-4-yl)-N-[2-(methanesulfonamido)ethyl]benzamide
SMILESCOc1cc(-c2ccc(C(=O)NCCNS(C)(=O)=O)cc2)nc(N)n1
InChIInChI=1S/C15H19N5O4S/c1-24-13-9-12(19-15(16)20-13)10-3-5-11(6-4-10)14(21)17-7-8-18-25(2,22)23/h3-6,9,18H,7-8H2,1-2H3,(H,17,21)(H2,16,19,20)
InChIKeyGYJQXCZFZKPAQW-UHFFFAOYSA-N
MW365.42 g/mol
LogP0.01
Rot. Bonds7

About 4-(2-amino-6-methoxypyrimidin-4-yl)-N-[2-(methanesulfonamido)ethyl]benzamide

4-(2-amino-6-methoxypyrimidin-4-yl)-N-[2-(methanesulfonamido)ethyl]benzamide (PubChem CID 119061614) has the molecular formula C15H19N5O4S and a molecular weight of 365.42 g/mol. Its IUPAC name is 4-(2-amino-6-methoxypyrimidin-4-yl)-N-[2-(methanesulfonamido)ethyl]benzamide.

Molecular Properties

Compound Name4-(2-amino-6-methoxypyrimidin-4-yl)-N-[2-(methanesulfonamido)ethyl]benzamide
PubChem CID119061614
Molecular FormulaC15H19N5O4S
Molecular Weight365.42 g/mol
Exact Mass365.12
IUPAC Name4-(2-amino-6-methoxypyrimidin-4-yl)-N-[2-(methanesulfonamido)ethyl]benzamide
SMILESCOc1cc(-c2ccc(C(=O)NCCNS(C)(=O)=O)cc2)nc(N)n1
InChIInChI=1S/C15H19N5O4S/c1-24-13-9-12(19-15(16)20-13)10-3-5-11(6-4-10)14(21)17-7-8-18-25(2,22)23/h3-6,9,18H,7-8H2,1-2H3,(H,17,21)(H2,16,19,20)
InChIKeyGYJQXCZFZKPAQW-UHFFFAOYSA-N
XLogP0.01
TPSA136.30 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.42
LogP ≤ 50.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4-(2-amino-6-methoxypyrimidin-4-yl)-N-[2-(methanesulfonamido)ethyl]benzamide 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 4-(2-amino-6-methoxypyrimidin-4-yl)-N-[2-(methanesulfonamido)ethyl]benzamide?
The IUPAC name of 4-(2-amino-6-methoxypyrimidin-4-yl)-N-[2-(methanesulfonamido)ethyl]benzamide (CID 119061614) is 4-(2-amino-6-methoxypyrimidin-4-yl)-N-[2-(methanesulfonamido)ethyl]benzamide.
What is the SMILES notation for 4-(2-amino-6-methoxypyrimidin-4-yl)-N-[2-(methanesulfonamido)ethyl]benzamide?
The canonical SMILES for 4-(2-amino-6-methoxypyrimidin-4-yl)-N-[2-(methanesulfonamido)ethyl]benzamide is COc1cc(-c2ccc(C(=O)NCCNS(C)(=O)=O)cc2)nc(N)n1.
What is the InChIKey of 4-(2-amino-6-methoxypyrimidin-4-yl)-N-[2-(methanesulfonamido)ethyl]benzamide?
The InChIKey is GYJQXCZFZKPAQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O4S/c1-24-13-9-12(19-15(16)20-13)10-3-5-11(6-4-10)14(21)17-7-8-18-25(2,22)23/h3-6,9,18H,7-8H2,1-2H3,(H,17,21)(H2,16,19,20).
What are the key properties of 4-(2-amino-6-methoxypyrimidin-4-yl)-N-[2-(methanesulfonamido)ethyl]benzamide?
4-(2-amino-6-methoxypyrimidin-4-yl)-N-[2-(methanesulfonamido)ethyl]benzamide has a molecular weight of 365.42 g/mol, XLogP of 0.01, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-6-methoxypyrimidin-4-yl)-N-[2-(methanesulfonamido)ethyl]benzamide is sourced from PubChem (CID 119061614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).