4-(2-bromophenoxy)-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine

C14H16BrN5O — CID 80845958

IUPAC4-(2-bromophenoxy)-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
SMILESCNc1nc(Oc2ccccc2Br)nc(N2CCCC2)n1
InChIInChI=1S/C14H16BrN5O/c1-16-12-17-13(20-8-4-5-9-20)19-14(18-12)21-11-7-3-2-6-10(11)15/h2-3,6-7H,4-5,8-9H2,1H3,(H,16,17,18,19)
InChIKeyQUOIZSSMRQASNJ-UHFFFAOYSA-N
MW350.22 g/mol
LogP3.07
Rot. Bonds4

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

4-(2-bromophenoxy)-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine (PubChem CID 80845958) has the molecular formula C14H16BrN5O and a molecular weight of 350.22 g/mol. Its IUPAC name is 4-(2-bromophenoxy)-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(2-bromophenoxy)-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
PubChem CID80845958
Molecular FormulaC14H16BrN5O
Molecular Weight350.22 g/mol
Exact Mass349.05
IUPAC Name4-(2-bromophenoxy)-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
SMILESCNc1nc(Oc2ccccc2Br)nc(N2CCCC2)n1
InChIInChI=1S/C14H16BrN5O/c1-16-12-17-13(20-8-4-5-9-20)19-14(18-12)21-11-7-3-2-6-10(11)15/h2-3,6-7H,4-5,8-9H2,1H3,(H,16,17,18,19)
InChIKeyQUOIZSSMRQASNJ-UHFFFAOYSA-N
XLogP3.07
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.22
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2-bromophenoxy)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 80859993
N-methyl-4-[(1-methyl-1,2,4-triazol-3-yl)oxy]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 106598566
4-(azepan-1-yl)-6-(6-ethoxypyridazin-3-yl)oxy-N-methyl-1,3,5-triazin-2-amine
CID 29131756
3-[[4-(azepan-1-yl)-6-(methylamino)-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one
CID 29139852
3-[[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]oxy]propan-1-ol
CID 80865821
N-methyl-4-pentoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 80865018
4-(furan-2-ylmethoxy)-N-methyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 80844803
2-N-benzyl-4-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80771043
4-(4-bromothiophen-3-yl)-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 79601588
4-hexoxy-N-methyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 80842498
2-chloro-4-(2,4-dibromophenoxy)-6-pyrrolidin-1-yl-1,3,5-triazine
CID 64719973
N-methyl-4-(4-methylpentan-2-yloxy)-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 80844224

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromophenoxy)-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(2-bromophenoxy)-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine (CID 80845958) is 4-(2-bromophenoxy)-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(2-bromophenoxy)-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(2-bromophenoxy)-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine is CNc1nc(Oc2ccccc2Br)nc(N2CCCC2)n1.
What is the InChIKey of 4-(2-bromophenoxy)-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The InChIKey is QUOIZSSMRQASNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN5O/c1-16-12-17-13(20-8-4-5-9-20)19-14(18-12)21-11-7-3-2-6-10(11)15/h2-3,6-7H,4-5,8-9H2,1H3,(H,16,17,18,19).
What are the key properties of 4-(2-bromophenoxy)-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
4-(2-bromophenoxy)-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine has a molecular weight of 350.22 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromophenoxy)-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80845958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).