5-bromo-3-methyl-N-[(2S)-2-(4-methylpiperazin-1-yl)propyl]pyridin-2-amine

C14H23BrN4 — CID 97224180

IUPAC5-bromo-3-methyl-N-[(2S)-2-(4-methylpiperazin-1-yl)propyl]pyridin-2-amine
SMILESCc1cc(Br)cnc1NC[C@H](C)N1CCN(C)CC1
InChIInChI=1S/C14H23BrN4/c1-11-8-13(15)10-17-14(11)16-9-12(2)19-6-4-18(3)5-7-19/h8,10,12H,4-7,9H2,1-3H3,(H,16,17)/t12-/m0/s1
InChIKeyFFZJXTHJTIQWNF-LBPRGKRZSA-N
MW327.27 g/mol
LogP2.20
Rot. Bonds4

About 5-bromo-3-methyl-N-[(2S)-2-(4-methylpiperazin-1-yl)propyl]pyridin-2-amine

5-bromo-3-methyl-N-[(2S)-2-(4-methylpiperazin-1-yl)propyl]pyridin-2-amine (PubChem CID 97224180) has the molecular formula C14H23BrN4 and a molecular weight of 327.27 g/mol. Its IUPAC name is 5-bromo-3-methyl-N-[(2S)-2-(4-methylpiperazin-1-yl)propyl]pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-3-methyl-N-[(2S)-2-(4-methylpiperazin-1-yl)propyl]pyridin-2-amine
PubChem CID97224180
Molecular FormulaC14H23BrN4
Molecular Weight327.27 g/mol
Exact Mass326.11
IUPAC Name5-bromo-3-methyl-N-[(2S)-2-(4-methylpiperazin-1-yl)propyl]pyridin-2-amine
SMILESCc1cc(Br)cnc1NC[C@H](C)N1CCN(C)CC1
InChIInChI=1S/C14H23BrN4/c1-11-8-13(15)10-17-14(11)16-9-12(2)19-6-4-18(3)5-7-19/h8,10,12H,4-7,9H2,1-3H3,(H,16,17)/t12-/m0/s1
InChIKeyFFZJXTHJTIQWNF-LBPRGKRZSA-N
XLogP2.20
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-methyl-N-[(2S)-2-(4-methylpiperazin-1-yl)propyl]pyridin-2-amine?
The IUPAC name of 5-bromo-3-methyl-N-[(2S)-2-(4-methylpiperazin-1-yl)propyl]pyridin-2-amine (CID 97224180) is 5-bromo-3-methyl-N-[(2S)-2-(4-methylpiperazin-1-yl)propyl]pyridin-2-amine.
What is the SMILES notation for 5-bromo-3-methyl-N-[(2S)-2-(4-methylpiperazin-1-yl)propyl]pyridin-2-amine?
The canonical SMILES for 5-bromo-3-methyl-N-[(2S)-2-(4-methylpiperazin-1-yl)propyl]pyridin-2-amine is Cc1cc(Br)cnc1NC[C@H](C)N1CCN(C)CC1.
What is the InChIKey of 5-bromo-3-methyl-N-[(2S)-2-(4-methylpiperazin-1-yl)propyl]pyridin-2-amine?
The InChIKey is FFZJXTHJTIQWNF-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H23BrN4/c1-11-8-13(15)10-17-14(11)16-9-12(2)19-6-4-18(3)5-7-19/h8,10,12H,4-7,9H2,1-3H3,(H,16,17)/t12-/m0/s1.
What are the key properties of 5-bromo-3-methyl-N-[(2S)-2-(4-methylpiperazin-1-yl)propyl]pyridin-2-amine?
5-bromo-3-methyl-N-[(2S)-2-(4-methylpiperazin-1-yl)propyl]pyridin-2-amine has a molecular weight of 327.27 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-methyl-N-[(2S)-2-(4-methylpiperazin-1-yl)propyl]pyridin-2-amine is sourced from PubChem (CID 97224180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).