3-bromo-5-methyl-N-(2-pyrrolidin-2-ylethyl)pyridin-2-amine

C12H18BrN3 — CID 105367435

IUPAC3-bromo-5-methyl-N-(2-pyrrolidin-2-ylethyl)pyridin-2-amine
SMILESCc1cnc(NCCC2CCCN2)c(Br)c1
InChIInChI=1S/C12H18BrN3/c1-9-7-11(13)12(16-8-9)15-6-4-10-3-2-5-14-10/h7-8,10,14H,2-6H2,1H3,(H,15,16)
InChIKeyYKHVYIVKMNLDSY-UHFFFAOYSA-N
MW284.20 g/mol
LogP2.71
Rot. Bonds4

About 3-bromo-5-methyl-N-(2-pyrrolidin-2-ylethyl)pyridin-2-amine

3-bromo-5-methyl-N-(2-pyrrolidin-2-ylethyl)pyridin-2-amine (PubChem CID 105367435) has the molecular formula C12H18BrN3 and a molecular weight of 284.20 g/mol. Its IUPAC name is 3-bromo-5-methyl-N-(2-pyrrolidin-2-ylethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-bromo-5-methyl-N-(2-pyrrolidin-2-ylethyl)pyridin-2-amine
PubChem CID105367435
Molecular FormulaC12H18BrN3
Molecular Weight284.20 g/mol
Exact Mass283.07
IUPAC Name3-bromo-5-methyl-N-(2-pyrrolidin-2-ylethyl)pyridin-2-amine
SMILESCc1cnc(NCCC2CCCN2)c(Br)c1
InChIInChI=1S/C12H18BrN3/c1-9-7-11(13)12(16-8-9)15-6-4-10-3-2-5-14-10/h7-8,10,14H,2-6H2,1H3,(H,15,16)
InChIKeyYKHVYIVKMNLDSY-UHFFFAOYSA-N
XLogP2.71
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-5-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyridin-2-amine
CID 105367436
3,5-dibromo-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyridin-2-amine
CID 104973107
3,6-dimethyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrazin-2-amine
CID 104973149
3-bromo-4-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyridin-2-amine
CID 106876235
3-methyl-5-nitro-N-(2-pyrrolidin-2-ylethyl)pyridin-2-amine
CID 114794444
3-methyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]pyridin-2-amine
CID 104973363
N'-(3-bromo-5-methyl-2-pyridinyl)-N-cyclopropylpropane-1,3-diamine
CID 105367269
3-bromo-N-(cyclohexylmethyl)-5-methylpyridin-2-amine
CID 105366700
5-methyl-N-(pyrrolidin-2-ylmethyl)pyridin-3-amine
CID 107584778
4,6-dimethyl-N-(2-pyrrolidin-2-ylethyl)pyrimidin-2-amine
CID 114794364
5-bromo-2-methyl-N-(2-pyrrolidin-2-ylethyl)aniline
CID 115210168
3-bromo-N-butyl-5-methylpyridin-2-amine
CID 82477943

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-methyl-N-(2-pyrrolidin-2-ylethyl)pyridin-2-amine?
The IUPAC name of 3-bromo-5-methyl-N-(2-pyrrolidin-2-ylethyl)pyridin-2-amine (CID 105367435) is 3-bromo-5-methyl-N-(2-pyrrolidin-2-ylethyl)pyridin-2-amine.
What is the SMILES notation for 3-bromo-5-methyl-N-(2-pyrrolidin-2-ylethyl)pyridin-2-amine?
The canonical SMILES for 3-bromo-5-methyl-N-(2-pyrrolidin-2-ylethyl)pyridin-2-amine is Cc1cnc(NCCC2CCCN2)c(Br)c1.
What is the InChIKey of 3-bromo-5-methyl-N-(2-pyrrolidin-2-ylethyl)pyridin-2-amine?
The InChIKey is YKHVYIVKMNLDSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3/c1-9-7-11(13)12(16-8-9)15-6-4-10-3-2-5-14-10/h7-8,10,14H,2-6H2,1H3,(H,15,16).
What are the key properties of 3-bromo-5-methyl-N-(2-pyrrolidin-2-ylethyl)pyridin-2-amine?
3-bromo-5-methyl-N-(2-pyrrolidin-2-ylethyl)pyridin-2-amine has a molecular weight of 284.20 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-methyl-N-(2-pyrrolidin-2-ylethyl)pyridin-2-amine is sourced from PubChem (CID 105367435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).