3-bromo-4-methyl-N-pyrrolidin-3-ylpyridin-2-amine

C10H14BrN3 — CID 106876094

IUPAC3-bromo-4-methyl-N-pyrrolidin-3-ylpyridin-2-amine
SMILESCc1ccnc(NC2CCNC2)c1Br
InChIInChI=1S/C10H14BrN3/c1-7-2-5-13-10(9(7)11)14-8-3-4-12-6-8/h2,5,8,12H,3-4,6H2,1H3,(H,13,14)
InChIKeyXFLKERNZSQSCSW-UHFFFAOYSA-N
MW256.15 g/mol
LogP1.93
Rot. Bonds2

About 3-bromo-4-methyl-N-pyrrolidin-3-ylpyridin-2-amine

3-bromo-4-methyl-N-pyrrolidin-3-ylpyridin-2-amine (PubChem CID 106876094) has the molecular formula C10H14BrN3 and a molecular weight of 256.15 g/mol. Its IUPAC name is 3-bromo-4-methyl-N-pyrrolidin-3-ylpyridin-2-amine.

Molecular Properties

Compound Name3-bromo-4-methyl-N-pyrrolidin-3-ylpyridin-2-amine
PubChem CID106876094
Molecular FormulaC10H14BrN3
Molecular Weight256.15 g/mol
Exact Mass255.04
IUPAC Name3-bromo-4-methyl-N-pyrrolidin-3-ylpyridin-2-amine
SMILESCc1ccnc(NC2CCNC2)c1Br
InChIInChI=1S/C10H14BrN3/c1-7-2-5-13-10(9(7)11)14-8-3-4-12-6-8/h2,5,8,12H,3-4,6H2,1H3,(H,13,14)
InChIKeyXFLKERNZSQSCSW-UHFFFAOYSA-N
XLogP1.93
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.15
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-cyclopropyl-4-methylpyridin-2-amine
CID 97181175
3-bromo-4-methyl-N-(pyrrolidin-3-ylmethyl)pyridin-2-amine
CID 106876197
5-[(3-bromo-4-methyl-2-pyridinyl)amino]piperidin-2-one
CID 106875729
3-fluoro-N-pyrrolidin-3-ylpyridin-2-amine
CID 62732869
5-bromo-6-methyl-N-piperidin-3-ylpyrimidin-4-amine
CID 83844973
N-[(3S)-pyrrolidin-3-yl]furo[3,2-c]pyridin-4-amine
CID 129414245
3-bromo-N-[(4S)-4-methoxypyrrolidin-3-yl]-4-methylpyridin-2-amine
CID 106876065
3-methyl-N-piperidin-3-ylpyrazin-2-amine;hydrochloride
CID 71639312
3-methyl-N-[(3R)-piperidin-3-yl]thieno[3,2-c]pyridin-4-amine
CID 172533104
N,N-dimethyl-2-[[(3R)-pyrrolidin-3-yl]amino]pyridine-3-carboxamide
CID 122441446
3-bromo-4-methyl-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
CID 106876097
5-bromo-N-pyrrolidin-3-ylpyrimidin-2-amine
CID 63872650

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methyl-N-pyrrolidin-3-ylpyridin-2-amine?
The IUPAC name of 3-bromo-4-methyl-N-pyrrolidin-3-ylpyridin-2-amine (CID 106876094) is 3-bromo-4-methyl-N-pyrrolidin-3-ylpyridin-2-amine.
What is the SMILES notation for 3-bromo-4-methyl-N-pyrrolidin-3-ylpyridin-2-amine?
The canonical SMILES for 3-bromo-4-methyl-N-pyrrolidin-3-ylpyridin-2-amine is Cc1ccnc(NC2CCNC2)c1Br.
What is the InChIKey of 3-bromo-4-methyl-N-pyrrolidin-3-ylpyridin-2-amine?
The InChIKey is XFLKERNZSQSCSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3/c1-7-2-5-13-10(9(7)11)14-8-3-4-12-6-8/h2,5,8,12H,3-4,6H2,1H3,(H,13,14).
What are the key properties of 3-bromo-4-methyl-N-pyrrolidin-3-ylpyridin-2-amine?
3-bromo-4-methyl-N-pyrrolidin-3-ylpyridin-2-amine has a molecular weight of 256.15 g/mol, XLogP of 1.93, 2 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-pyrrolidin-3-ylpyridin-2-amine is sourced from PubChem (CID 106876094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).