6-[(2S)-2-[(4-bromophenoxy)methyl]pyrrolidin-1-yl]-1,3,5-triazine-2,4-diamine

C14H17BrN6O — CID 166382441

IUPAC6-[(2S)-2-[(4-bromophenoxy)methyl]pyrrolidin-1-yl]-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(N2CCC[C@H]2COc2ccc(Br)cc2)n1
InChIInChI=1S/C14H17BrN6O/c15-9-3-5-11(6-4-9)22-8-10-2-1-7-21(10)14-19-12(16)18-13(17)20-14/h3-6,10H,1-2,7-8H2,(H4,16,17,18,19,20)/t10-/m0/s1
InChIKeyQFLIESOTJQBSBQ-JTQLQIEISA-N
MW365.24 g/mol
LogP1.85
Rot. Bonds4

About 6-[(2S)-2-[(4-bromophenoxy)methyl]pyrrolidin-1-yl]-1,3,5-triazine-2,4-diamine

6-[(2S)-2-[(4-bromophenoxy)methyl]pyrrolidin-1-yl]-1,3,5-triazine-2,4-diamine (PubChem CID 166382441) has the molecular formula C14H17BrN6O and a molecular weight of 365.24 g/mol. Its IUPAC name is 6-[(2S)-2-[(4-bromophenoxy)methyl]pyrrolidin-1-yl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[(2S)-2-[(4-bromophenoxy)methyl]pyrrolidin-1-yl]-1,3,5-triazine-2,4-diamine
PubChem CID166382441
Molecular FormulaC14H17BrN6O
Molecular Weight365.24 g/mol
Exact Mass364.06
IUPAC Name6-[(2S)-2-[(4-bromophenoxy)methyl]pyrrolidin-1-yl]-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(N2CCC[C@H]2COc2ccc(Br)cc2)n1
InChIInChI=1S/C14H17BrN6O/c15-9-3-5-11(6-4-9)22-8-10-2-1-7-21(10)14-19-12(16)18-13(17)20-14/h3-6,10H,1-2,7-8H2,(H4,16,17,18,19,20)/t10-/m0/s1
InChIKeyQFLIESOTJQBSBQ-JTQLQIEISA-N
XLogP1.85
TPSA103.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.24
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-[(2S)-2-[(4-bromophenoxy)methyl]pyrrolidin-1-yl]-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

6-[(2S)-2-[(4-bromophenoxy)methyl]pyrrolidin-1-yl]-N-methylpyrimidin-4-amine
CID 166382446
4-methyl-2-[2-(phenoxymethyl)pyrrolidin-1-yl]pyrimidine
CID 133310050
5-chloro-4-[2-[(4-chlorophenoxy)methyl]pyrrolidin-1-yl]pyridin-2-amine
CID 167915331
4-[[1-(6-bromo-2-cyanoquinolin-4-yl)pyrrolidin-2-yl]methoxy]benzenesulfonamide
CID 166382464
4-[(1-pyridin-2-ylpyrrolidin-2-yl)methoxy]benzaldehyde
CID 57106797
4-[[(2S)-1-pyridin-2-ylpyrrolidin-2-yl]methoxy]benzaldehyde
CID 11129755
(4-bromophenyl)-[4-[(1-cycloheptylpyrrolidin-2-yl)methoxy]phenyl]methanone
CID 151788965
N,N-dimethyl-4-[(2R)-2-(phenoxymethyl)pyrrolidin-1-yl]pyrimidin-2-amine
CID 166303846
4-(2-ethylpyrrolidin-1-yl)-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 80798778
2-(2-ethylpyrrolidin-1-yl)pyrimidin-4-amine
CID 116796494
(4-bromophenyl)-[4-[(1-butylpyrrolidin-2-yl)methoxy]phenyl]methanone
CID 151929620
2-methyl-7-[(2R)-2-(phenoxymethyl)pyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 166303847

Frequently Asked Questions

What is the IUPAC name of 6-[(2S)-2-[(4-bromophenoxy)methyl]pyrrolidin-1-yl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[(2S)-2-[(4-bromophenoxy)methyl]pyrrolidin-1-yl]-1,3,5-triazine-2,4-diamine (CID 166382441) is 6-[(2S)-2-[(4-bromophenoxy)methyl]pyrrolidin-1-yl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[(2S)-2-[(4-bromophenoxy)methyl]pyrrolidin-1-yl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[(2S)-2-[(4-bromophenoxy)methyl]pyrrolidin-1-yl]-1,3,5-triazine-2,4-diamine is Nc1nc(N)nc(N2CCC[C@H]2COc2ccc(Br)cc2)n1.
What is the InChIKey of 6-[(2S)-2-[(4-bromophenoxy)methyl]pyrrolidin-1-yl]-1,3,5-triazine-2,4-diamine?
The InChIKey is QFLIESOTJQBSBQ-JTQLQIEISA-N. The full InChI is InChI=1S/C14H17BrN6O/c15-9-3-5-11(6-4-9)22-8-10-2-1-7-21(10)14-19-12(16)18-13(17)20-14/h3-6,10H,1-2,7-8H2,(H4,16,17,18,19,20)/t10-/m0/s1.
What are the key properties of 6-[(2S)-2-[(4-bromophenoxy)methyl]pyrrolidin-1-yl]-1,3,5-triazine-2,4-diamine?
6-[(2S)-2-[(4-bromophenoxy)methyl]pyrrolidin-1-yl]-1,3,5-triazine-2,4-diamine has a molecular weight of 365.24 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2S)-2-[(4-bromophenoxy)methyl]pyrrolidin-1-yl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 166382441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).