3,5-dibromo-N-[(1,4-dimethylpiperazin-2-yl)methyl]pyridin-2-amine

C12H18Br2N4 — CID 113413702

IUPAC3,5-dibromo-N-[(1,4-dimethylpiperazin-2-yl)methyl]pyridin-2-amine
SMILESCN1CCN(C)C(CNc2ncc(Br)cc2Br)C1
InChIInChI=1S/C12H18Br2N4/c1-17-3-4-18(2)10(8-17)7-16-12-11(14)5-9(13)6-15-12/h5-6,10H,3-4,7-8H2,1-2H3,(H,15,16)
InChIKeyFRFMIMOBTBIHCU-UHFFFAOYSA-N
MW378.11 g/mol
LogP2.26
Rot. Bonds3

About 3,5-dibromo-N-[(1,4-dimethylpiperazin-2-yl)methyl]pyridin-2-amine

3,5-dibromo-N-[(1,4-dimethylpiperazin-2-yl)methyl]pyridin-2-amine (PubChem CID 113413702) has the molecular formula C12H18Br2N4 and a molecular weight of 378.11 g/mol. Its IUPAC name is 3,5-dibromo-N-[(1,4-dimethylpiperazin-2-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name3,5-dibromo-N-[(1,4-dimethylpiperazin-2-yl)methyl]pyridin-2-amine
PubChem CID113413702
Molecular FormulaC12H18Br2N4
Molecular Weight378.11 g/mol
Exact Mass375.99
IUPAC Name3,5-dibromo-N-[(1,4-dimethylpiperazin-2-yl)methyl]pyridin-2-amine
SMILESCN1CCN(C)C(CNc2ncc(Br)cc2Br)C1
InChIInChI=1S/C12H18Br2N4/c1-17-3-4-18(2)10(8-17)7-16-12-11(14)5-9(13)6-15-12/h5-6,10H,3-4,7-8H2,1-2H3,(H,15,16)
InChIKeyFRFMIMOBTBIHCU-UHFFFAOYSA-N
XLogP2.26
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.11
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-5-chloro-N-[(1,4-dimethylpiperazin-2-yl)methyl]pyridin-2-amine
CID 114835915
3,5-dibromo-N-[(3-methylcyclopentyl)methyl]pyridin-2-amine
CID 107413889
N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-fluoro-6-methylpyrimidin-4-amine
CID 113234222
4-N-[(1,4-dimethylpiperazin-2-yl)methyl]-6-N,5-diethylpyrimidine-4,6-diamine
CID 80819508
3,5-dibromo-N-[[(1R,2R)-2-ethylcyclopropyl]methyl]pyridin-2-amine
CID 130921142
6-chloro-N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-methylpyrimidin-4-amine
CID 63897136
2-bromo-1-N-[(1,4-dimethylpiperazin-2-yl)methyl]benzene-1,4-diamine
CID 63897227
N-[(1,4-dimethylpiperazin-2-yl)methyl]-4,6-dimethylpyrimidin-2-amine
CID 63899169
5-N-[(1,4-dimethylpiperazin-2-yl)methyl]pyridine-2,5-diamine
CID 63897051
5-N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-N-methylpyridine-3,5-diamine
CID 104534729
N-[(1,4-dimethylpiperazin-2-yl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-amine
CID 102686498
5-bromo-3-methyl-N-[(1-methylpiperidin-3-yl)methyl]pyridin-2-amine
CID 79718992

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-N-[(1,4-dimethylpiperazin-2-yl)methyl]pyridin-2-amine?
The IUPAC name of 3,5-dibromo-N-[(1,4-dimethylpiperazin-2-yl)methyl]pyridin-2-amine (CID 113413702) is 3,5-dibromo-N-[(1,4-dimethylpiperazin-2-yl)methyl]pyridin-2-amine.
What is the SMILES notation for 3,5-dibromo-N-[(1,4-dimethylpiperazin-2-yl)methyl]pyridin-2-amine?
The canonical SMILES for 3,5-dibromo-N-[(1,4-dimethylpiperazin-2-yl)methyl]pyridin-2-amine is CN1CCN(C)C(CNc2ncc(Br)cc2Br)C1.
What is the InChIKey of 3,5-dibromo-N-[(1,4-dimethylpiperazin-2-yl)methyl]pyridin-2-amine?
The InChIKey is FRFMIMOBTBIHCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18Br2N4/c1-17-3-4-18(2)10(8-17)7-16-12-11(14)5-9(13)6-15-12/h5-6,10H,3-4,7-8H2,1-2H3,(H,15,16).
What are the key properties of 3,5-dibromo-N-[(1,4-dimethylpiperazin-2-yl)methyl]pyridin-2-amine?
3,5-dibromo-N-[(1,4-dimethylpiperazin-2-yl)methyl]pyridin-2-amine has a molecular weight of 378.11 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-N-[(1,4-dimethylpiperazin-2-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 113413702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).