3-bromo-4-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyridin-2-amine

C12H18BrN3 — CID 106876235

IUPAC3-bromo-4-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyridin-2-amine
SMILESCc1ccnc(NCC[C@H]2CCCN2)c1Br
InChIInChI=1S/C12H18BrN3/c1-9-4-7-15-12(11(9)13)16-8-5-10-3-2-6-14-10/h4,7,10,14H,2-3,5-6,8H2,1H3,(H,15,16)/t10-/m1/s1
InChIKeyWSJPTCMWMSHKPC-SNVBAGLBSA-N
MW284.20 g/mol
LogP2.71
Rot. Bonds4

About 3-bromo-4-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyridin-2-amine

3-bromo-4-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyridin-2-amine (PubChem CID 106876235) has the molecular formula C12H18BrN3 and a molecular weight of 284.20 g/mol. Its IUPAC name is 3-bromo-4-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyridin-2-amine.

Molecular Properties

Compound Name3-bromo-4-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyridin-2-amine
PubChem CID106876235
Molecular FormulaC12H18BrN3
Molecular Weight284.20 g/mol
Exact Mass283.07
IUPAC Name3-bromo-4-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyridin-2-amine
SMILESCc1ccnc(NCC[C@H]2CCCN2)c1Br
InChIInChI=1S/C12H18BrN3/c1-9-4-7-15-12(11(9)13)16-8-5-10-3-2-6-14-10/h4,7,10,14H,2-3,5-6,8H2,1H3,(H,15,16)/t10-/m1/s1
InChIKeyWSJPTCMWMSHKPC-SNVBAGLBSA-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-4-methyl-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
CID 106876097
3-methyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]pyridin-2-amine
CID 104973363
4-methyl-3-nitro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyridin-2-amine
CID 104972861
3-methyl-N-(2-piperidin-2-ylethyl)pyridin-2-amine
CID 83837474
3-bromo-5-methyl-N-(2-pyrrolidin-2-ylethyl)pyridin-2-amine
CID 105367435
3-bromo-5-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyridin-2-amine
CID 105367436
N-(2-pyrrolidin-2-ylethyl)thieno[3,2-c]pyridin-4-amine
CID 114794635
3,6-dimethyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrazin-2-amine
CID 104973149
5-bromo-2-methyl-N-(2-pyrrolidin-2-ylethyl)aniline
CID 115210168
6-methoxy-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]isoquinolin-1-amine
CID 106541129
3,5-dibromo-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyridin-2-amine
CID 104973107
2-N,2-N-dimethyl-4-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrimidine-2,4-diamine
CID 104972916

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyridin-2-amine?
The IUPAC name of 3-bromo-4-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyridin-2-amine (CID 106876235) is 3-bromo-4-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyridin-2-amine.
What is the SMILES notation for 3-bromo-4-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyridin-2-amine?
The canonical SMILES for 3-bromo-4-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyridin-2-amine is Cc1ccnc(NCC[C@H]2CCCN2)c1Br.
What is the InChIKey of 3-bromo-4-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyridin-2-amine?
The InChIKey is WSJPTCMWMSHKPC-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H18BrN3/c1-9-4-7-15-12(11(9)13)16-8-5-10-3-2-6-14-10/h4,7,10,14H,2-3,5-6,8H2,1H3,(H,15,16)/t10-/m1/s1.
What are the key properties of 3-bromo-4-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyridin-2-amine?
3-bromo-4-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]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-4-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyridin-2-amine is sourced from PubChem (CID 106876235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).