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

C12H14BrN5S — CID 79601588

IUPAC4-(4-bromothiophen-3-yl)-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
SMILESCNc1nc(-c2cscc2Br)nc(N2CCCC2)n1
InChIInChI=1S/C12H14BrN5S/c1-14-11-15-10(8-6-19-7-9(8)13)16-12(17-11)18-4-2-3-5-18/h6-7H,2-5H2,1H3,(H,14,15,16,17)
InChIKeyOTOLUGJSMSSBOG-UHFFFAOYSA-N
MW340.25 g/mol
LogP3.00
Rot. Bonds3

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

4-(4-bromothiophen-3-yl)-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine (PubChem CID 79601588) has the molecular formula C12H14BrN5S and a molecular weight of 340.25 g/mol. Its IUPAC name is 4-(4-bromothiophen-3-yl)-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(4-bromothiophen-3-yl)-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
PubChem CID79601588
Molecular FormulaC12H14BrN5S
Molecular Weight340.25 g/mol
Exact Mass339.02
IUPAC Name4-(4-bromothiophen-3-yl)-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
SMILESCNc1nc(-c2cscc2Br)nc(N2CCCC2)n1
InChIInChI=1S/C12H14BrN5S/c1-14-11-15-10(8-6-19-7-9(8)13)16-12(17-11)18-4-2-3-5-18/h6-7H,2-5H2,1H3,(H,14,15,16,17)
InChIKeyOTOLUGJSMSSBOG-UHFFFAOYSA-N
XLogP3.00
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.25
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2-bromophenoxy)-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 80845958
4-(4-bromophenyl)sulfanyl-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 80873438
2-N,4-N,4-N-trimethyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80764986
N-methyl-4-(2-methylthiophen-3-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 102838573
2-N-benzyl-4-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80771043
4-N-methyl-2-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80783828
4-N-methyl-2-N-(2-methylpropyl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80770344
2-N-(2-iodophenyl)-4-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80737478
4-N-methyl-2-N-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 83034207
1-[4-(methylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]piperidin-4-ol
CID 80749464
2-N,4-N-dimethyl-4-N-pentan-3-yl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80792687
N-methyl-4-(2-methylmorpholin-4-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 80763829

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromothiophen-3-yl)-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(4-bromothiophen-3-yl)-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine (CID 79601588) is 4-(4-bromothiophen-3-yl)-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(4-bromothiophen-3-yl)-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(4-bromothiophen-3-yl)-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine is CNc1nc(-c2cscc2Br)nc(N2CCCC2)n1.
What is the InChIKey of 4-(4-bromothiophen-3-yl)-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The InChIKey is OTOLUGJSMSSBOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN5S/c1-14-11-15-10(8-6-19-7-9(8)13)16-12(17-11)18-4-2-3-5-18/h6-7H,2-5H2,1H3,(H,14,15,16,17).
What are the key properties of 4-(4-bromothiophen-3-yl)-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
4-(4-bromothiophen-3-yl)-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine has a molecular weight of 340.25 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromothiophen-3-yl)-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 79601588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).