2-(4-bromo-2-methylphenoxy)-4-chloro-6-pyrrolidin-1-yl-1,3,5-triazine

C14H14BrClN4O — CID 63216963

IUPAC2-(4-bromo-2-methylphenoxy)-4-chloro-6-pyrrolidin-1-yl-1,3,5-triazine
SMILESCc1cc(Br)ccc1Oc1nc(Cl)nc(N2CCCC2)n1
InChIInChI=1S/C14H14BrClN4O/c1-9-8-10(15)4-5-11(9)21-14-18-12(16)17-13(19-14)20-6-2-3-7-20/h4-5,8H,2-3,6-7H2,1H3
InChIKeyWHVYSUGCZVARMJ-UHFFFAOYSA-N
MW369.65 g/mol
LogP3.99
Rot. Bonds3

About 2-(4-bromo-2-methylphenoxy)-4-chloro-6-pyrrolidin-1-yl-1,3,5-triazine

2-(4-bromo-2-methylphenoxy)-4-chloro-6-pyrrolidin-1-yl-1,3,5-triazine (PubChem CID 63216963) has the molecular formula C14H14BrClN4O and a molecular weight of 369.65 g/mol. Its IUPAC name is 2-(4-bromo-2-methylphenoxy)-4-chloro-6-pyrrolidin-1-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-(4-bromo-2-methylphenoxy)-4-chloro-6-pyrrolidin-1-yl-1,3,5-triazine
PubChem CID63216963
Molecular FormulaC14H14BrClN4O
Molecular Weight369.65 g/mol
Exact Mass368.00
IUPAC Name2-(4-bromo-2-methylphenoxy)-4-chloro-6-pyrrolidin-1-yl-1,3,5-triazine
SMILESCc1cc(Br)ccc1Oc1nc(Cl)nc(N2CCCC2)n1
InChIInChI=1S/C14H14BrClN4O/c1-9-8-10(15)4-5-11(9)21-14-18-12(16)17-13(19-14)20-6-2-3-7-20/h4-5,8H,2-3,6-7H2,1H3
InChIKeyWHVYSUGCZVARMJ-UHFFFAOYSA-N
XLogP3.99
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.65
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(4-bromo-2-methylphenoxy)-4-chloro-6-pyrrolidin-1-yl-1,3,5-triazine 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

2-chloro-4-(2,4-dibromophenoxy)-6-pyrrolidin-1-yl-1,3,5-triazine
CID 64719973
2-(3-bromophenoxy)-4-chloro-6-pyrrolidin-1-yl-1,3,5-triazine
CID 62868442
4-(2,4-dimethylphenoxy)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 80866417
2-chloro-4-(4-methoxyphenoxy)-6-pyrrolidin-1-yl-1,3,5-triazine
CID 62868780
4-(2-chloro-4-fluorophenoxy)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 80864921
2-chloro-4-(2,4-dibromophenoxy)-6-methoxy-1,3,5-triazine
CID 64718654
1-(4-bromo-2-methylphenyl)piperidine
CID 66800775
2-chloro-4-(2-methylpropoxy)-6-piperidin-1-yl-1,3,5-triazine
CID 62870467
4-(4-bromo-2-methylphenoxy)-2-chloro-6-(trifluoromethyl)pyrimidine
CID 114562091
1-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)azepane
CID 62869524
2-(4-bromo-2-chlorophenoxy)-4-chloro-6-propan-2-yloxy-1,3,5-triazine
CID 62869293
4-(2-bromophenoxy)-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 80845958

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-methylphenoxy)-4-chloro-6-pyrrolidin-1-yl-1,3,5-triazine?
The IUPAC name of 2-(4-bromo-2-methylphenoxy)-4-chloro-6-pyrrolidin-1-yl-1,3,5-triazine (CID 63216963) is 2-(4-bromo-2-methylphenoxy)-4-chloro-6-pyrrolidin-1-yl-1,3,5-triazine.
What is the SMILES notation for 2-(4-bromo-2-methylphenoxy)-4-chloro-6-pyrrolidin-1-yl-1,3,5-triazine?
The canonical SMILES for 2-(4-bromo-2-methylphenoxy)-4-chloro-6-pyrrolidin-1-yl-1,3,5-triazine is Cc1cc(Br)ccc1Oc1nc(Cl)nc(N2CCCC2)n1.
What is the InChIKey of 2-(4-bromo-2-methylphenoxy)-4-chloro-6-pyrrolidin-1-yl-1,3,5-triazine?
The InChIKey is WHVYSUGCZVARMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrClN4O/c1-9-8-10(15)4-5-11(9)21-14-18-12(16)17-13(19-14)20-6-2-3-7-20/h4-5,8H,2-3,6-7H2,1H3.
What are the key properties of 2-(4-bromo-2-methylphenoxy)-4-chloro-6-pyrrolidin-1-yl-1,3,5-triazine?
2-(4-bromo-2-methylphenoxy)-4-chloro-6-pyrrolidin-1-yl-1,3,5-triazine has a molecular weight of 369.65 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-methylphenoxy)-4-chloro-6-pyrrolidin-1-yl-1,3,5-triazine is sourced from PubChem (CID 63216963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).