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

C13H12BrClN4O — CID 62868442

IUPAC2-(3-bromophenoxy)-4-chloro-6-pyrrolidin-1-yl-1,3,5-triazine
SMILESClc1nc(Oc2cccc(Br)c2)nc(N2CCCC2)n1
InChIInChI=1S/C13H12BrClN4O/c14-9-4-3-5-10(8-9)20-13-17-11(15)16-12(18-13)19-6-1-2-7-19/h3-5,8H,1-2,6-7H2
InChIKeyGSQAHRPJBBHQEH-UHFFFAOYSA-N
MW355.62 g/mol
LogP3.68
Rot. Bonds3

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

2-(3-bromophenoxy)-4-chloro-6-pyrrolidin-1-yl-1,3,5-triazine (PubChem CID 62868442) has the molecular formula C13H12BrClN4O and a molecular weight of 355.62 g/mol. Its IUPAC name is 2-(3-bromophenoxy)-4-chloro-6-pyrrolidin-1-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-(3-bromophenoxy)-4-chloro-6-pyrrolidin-1-yl-1,3,5-triazine
PubChem CID62868442
Molecular FormulaC13H12BrClN4O
Molecular Weight355.62 g/mol
Exact Mass353.99
IUPAC Name2-(3-bromophenoxy)-4-chloro-6-pyrrolidin-1-yl-1,3,5-triazine
SMILESClc1nc(Oc2cccc(Br)c2)nc(N2CCCC2)n1
InChIInChI=1S/C13H12BrClN4O/c14-9-4-3-5-10(8-9)20-13-17-11(15)16-12(18-13)19-6-1-2-7-19/h3-5,8H,1-2,6-7H2
InChIKeyGSQAHRPJBBHQEH-UHFFFAOYSA-N
XLogP3.68
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.62
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-4-(2,4-dibromophenoxy)-6-pyrrolidin-1-yl-1,3,5-triazine
CID 64719973
2-(4-bromo-2-methylphenoxy)-4-chloro-6-pyrrolidin-1-yl-1,3,5-triazine
CID 63216963
2-chloro-4-(4-methoxyphenoxy)-6-pyrrolidin-1-yl-1,3,5-triazine
CID 62868780
2-(3-bromophenoxy)-4-chloro-6-imidazol-1-yl-1,3,5-triazine
CID 62868280
2-(3-bromophenoxy)-4-chloro-6-propan-2-yloxy-1,3,5-triazine
CID 55124618
4-(3-methoxyphenoxy)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 80866937
[4-(3-fluorophenoxy)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazine
CID 80910078
4-[(5-bromo-3-pyridinyl)oxy]-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 80870669
4-(3-chlorophenoxy)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 80865052
4-chloro-N-(2,6-dibromophenyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 107602258
2-chloro-4-(2-methylpropoxy)-6-piperidin-1-yl-1,3,5-triazine
CID 62870467
2-(4-bromophenoxy)-4,6-dichloro-1,3,5-triazine
CID 3858351

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenoxy)-4-chloro-6-pyrrolidin-1-yl-1,3,5-triazine?
The IUPAC name of 2-(3-bromophenoxy)-4-chloro-6-pyrrolidin-1-yl-1,3,5-triazine (CID 62868442) is 2-(3-bromophenoxy)-4-chloro-6-pyrrolidin-1-yl-1,3,5-triazine.
What is the SMILES notation for 2-(3-bromophenoxy)-4-chloro-6-pyrrolidin-1-yl-1,3,5-triazine?
The canonical SMILES for 2-(3-bromophenoxy)-4-chloro-6-pyrrolidin-1-yl-1,3,5-triazine is Clc1nc(Oc2cccc(Br)c2)nc(N2CCCC2)n1.
What is the InChIKey of 2-(3-bromophenoxy)-4-chloro-6-pyrrolidin-1-yl-1,3,5-triazine?
The InChIKey is GSQAHRPJBBHQEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrClN4O/c14-9-4-3-5-10(8-9)20-13-17-11(15)16-12(18-13)19-6-1-2-7-19/h3-5,8H,1-2,6-7H2.
What are the key properties of 2-(3-bromophenoxy)-4-chloro-6-pyrrolidin-1-yl-1,3,5-triazine?
2-(3-bromophenoxy)-4-chloro-6-pyrrolidin-1-yl-1,3,5-triazine has a molecular weight of 355.62 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenoxy)-4-chloro-6-pyrrolidin-1-yl-1,3,5-triazine is sourced from PubChem (CID 62868442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).