4-chloro-N-(2,6-dibromophenyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine

C13H12Br2ClN5 — CID 107602258

IUPAC4-chloro-N-(2,6-dibromophenyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
SMILESClc1nc(Nc2c(Br)cccc2Br)nc(N2CCCC2)n1
InChIInChI=1S/C13H12Br2ClN5/c14-8-4-3-5-9(15)10(8)17-12-18-11(16)19-13(20-12)21-6-1-2-7-21/h3-5H,1-2,6-7H2,(H,17,18,19,20)
InChIKeyYCHWNMLKJLYJSQ-UHFFFAOYSA-N
MW433.54 g/mol
LogP4.39
Rot. Bonds3

About 4-chloro-N-(2,6-dibromophenyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine

4-chloro-N-(2,6-dibromophenyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine (PubChem CID 107602258) has the molecular formula C13H12Br2ClN5 and a molecular weight of 433.54 g/mol. Its IUPAC name is 4-chloro-N-(2,6-dibromophenyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-(2,6-dibromophenyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
PubChem CID107602258
Molecular FormulaC13H12Br2ClN5
Molecular Weight433.54 g/mol
Exact Mass430.91
IUPAC Name4-chloro-N-(2,6-dibromophenyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
SMILESClc1nc(Nc2c(Br)cccc2Br)nc(N2CCCC2)n1
InChIInChI=1S/C13H12Br2ClN5/c14-8-4-3-5-9(15)10(8)17-12-18-11(16)19-13(20-12)21-6-1-2-7-21/h3-5H,1-2,6-7H2,(H,17,18,19,20)
InChIKeyYCHWNMLKJLYJSQ-UHFFFAOYSA-N
XLogP4.39
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.54
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-(3-iodophenyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 62870369
4-chloro-N-(3,4-dichlorophenyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 62869331
4-chloro-N-(3,5-dimethylphenyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 171851124
4-chloro-N-(3-fluoro-5-methylphenyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 79046218
4-chloro-N-(2-chlorophenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 62869174
4-chloro-N-(1-methylpyrazol-3-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 79778687
6-chloro-2-N-(2,6-dibromophenyl)-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 107604501
4-chloro-N-(4-fluorophenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 23381719
4-chloro-N-(2,3-dihydro-1H-inden-2-yl)-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 10568388
2-N-(3-bromophenyl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80736600
2-N-(3-chlorophenyl)-4-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80736345
4-chloro-N-(2-methylphenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 748919

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2,6-dibromophenyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-(2,6-dibromophenyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine (CID 107602258) is 4-chloro-N-(2,6-dibromophenyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-(2,6-dibromophenyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-(2,6-dibromophenyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine is Clc1nc(Nc2c(Br)cccc2Br)nc(N2CCCC2)n1.
What is the InChIKey of 4-chloro-N-(2,6-dibromophenyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The InChIKey is YCHWNMLKJLYJSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Br2ClN5/c14-8-4-3-5-9(15)10(8)17-12-18-11(16)19-13(20-12)21-6-1-2-7-21/h3-5H,1-2,6-7H2,(H,17,18,19,20).
What are the key properties of 4-chloro-N-(2,6-dibromophenyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
4-chloro-N-(2,6-dibromophenyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine has a molecular weight of 433.54 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2,6-dibromophenyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 107602258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).