N-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-(2-bromophenoxy)acetamide

C14H15BrN4O2 — CID 90681722

IUPACN-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-(2-bromophenoxy)acetamide
SMILESCc1ncc(CNC(=O)COc2ccccc2Br)c(N)n1
InChIInChI=1S/C14H15BrN4O2/c1-9-17-6-10(14(16)19-9)7-18-13(20)8-21-12-5-3-2-4-11(12)15/h2-6H,7-8H2,1H3,(H,18,20)(H2,16,17,19)
InChIKeyRXXNEMOHMSBCAP-UHFFFAOYSA-N
MW351.20 g/mol
LogP1.82
Rot. Bonds5

About N-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-(2-bromophenoxy)acetamide

N-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-(2-bromophenoxy)acetamide (PubChem CID 90681722) has the molecular formula C14H15BrN4O2 and a molecular weight of 351.20 g/mol. Its IUPAC name is N-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-(2-bromophenoxy)acetamide.

Molecular Properties

Compound NameN-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-(2-bromophenoxy)acetamide
PubChem CID90681722
Molecular FormulaC14H15BrN4O2
Molecular Weight351.20 g/mol
Exact Mass350.04
IUPAC NameN-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-(2-bromophenoxy)acetamide
SMILESCc1ncc(CNC(=O)COc2ccccc2Br)c(N)n1
InChIInChI=1S/C14H15BrN4O2/c1-9-17-6-10(14(16)19-9)7-18-13(20)8-21-12-5-3-2-4-11(12)15/h2-6H,7-8H2,1H3,(H,18,20)(H2,16,17,19)
InChIKeyRXXNEMOHMSBCAP-UHFFFAOYSA-N
XLogP1.82
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.20
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-(2-bromophenoxy)acetamide 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)methyl]-2-(2-bromophenoxy)acetamide?
The IUPAC name of N-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-(2-bromophenoxy)acetamide (CID 90681722) is N-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-(2-bromophenoxy)acetamide.
What is the SMILES notation for N-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-(2-bromophenoxy)acetamide?
The canonical SMILES for N-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-(2-bromophenoxy)acetamide is Cc1ncc(CNC(=O)COc2ccccc2Br)c(N)n1.
What is the InChIKey of N-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-(2-bromophenoxy)acetamide?
The InChIKey is RXXNEMOHMSBCAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN4O2/c1-9-17-6-10(14(16)19-9)7-18-13(20)8-21-12-5-3-2-4-11(12)15/h2-6H,7-8H2,1H3,(H,18,20)(H2,16,17,19).
What are the key properties of N-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-(2-bromophenoxy)acetamide?
N-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-(2-bromophenoxy)acetamide has a molecular weight of 351.20 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-(2-bromophenoxy)acetamide is sourced from PubChem (CID 90681722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).