5-N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-N-methylpyridine-3,5-diamine

C13H23N5 — CID 104534729

IUPAC5-N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-N-methylpyridine-3,5-diamine
SMILESCNc1cncc(NCC2CN(C)CCN2C)c1
InChIInChI=1S/C13H23N5/c1-14-11-6-12(8-15-7-11)16-9-13-10-17(2)4-5-18(13)3/h6-8,13-14,16H,4-5,9-10H2,1-3H3
InChIKeyMMHRUDGFNUXZGV-UHFFFAOYSA-N
MW249.36 g/mol
LogP0.78
Rot. Bonds4

About 5-N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-N-methylpyridine-3,5-diamine

5-N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-N-methylpyridine-3,5-diamine (PubChem CID 104534729) has the molecular formula C13H23N5 and a molecular weight of 249.36 g/mol. Its IUPAC name is 5-N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-N-methylpyridine-3,5-diamine.

Molecular Properties

Compound Name5-N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-N-methylpyridine-3,5-diamine
PubChem CID104534729
Molecular FormulaC13H23N5
Molecular Weight249.36 g/mol
Exact Mass249.20
IUPAC Name5-N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-N-methylpyridine-3,5-diamine
SMILESCNc1cncc(NCC2CN(C)CCN2C)c1
InChIInChI=1S/C13H23N5/c1-14-11-6-12(8-15-7-11)16-9-13-10-17(2)4-5-18(13)3/h6-8,13-14,16H,4-5,9-10H2,1-3H3
InChIKeyMMHRUDGFNUXZGV-UHFFFAOYSA-N
XLogP0.78
TPSA43.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-N-methylpyridine-3,5-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-N-[(1,4-dimethylpiperazin-2-yl)methyl]pyridine-2,5-diamine
CID 63897051
N-[(1,4-dimethylpiperazin-2-yl)methyl]-4,6-dimethylpyrimidin-2-amine
CID 63899169
N-[(1,4-dimethylpiperazin-2-yl)methyl]naphthalen-2-amine
CID 63897643
1-(1,4-dimethylpiperazin-2-yl)-N-methylmethanamine
CID 45099459
N-[(1,4-dimethylpiperazin-2-yl)methyl]-6-nitropyridin-3-amine
CID 63897277
3,5-dibromo-N-[(1,4-dimethylpiperazin-2-yl)methyl]pyridin-2-amine
CID 113413702
N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-methylsulfonylaniline
CID 63897640
3-bromo-5-chloro-N-[(1,4-dimethylpiperazin-2-yl)methyl]pyridin-2-amine
CID 114835915
N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-methyl-5-nitroaniline
CID 115981375
N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-ethylsulfonylaniline
CID 63899170
N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-nitroaniline
CID 63897830
3-[(1,4-dimethylpiperazin-2-yl)methylamino]pyridine-4-carbonitrile
CID 114287604

Frequently Asked Questions

What is the IUPAC name of 5-N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-N-methylpyridine-3,5-diamine?
The IUPAC name of 5-N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-N-methylpyridine-3,5-diamine (CID 104534729) is 5-N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-N-methylpyridine-3,5-diamine.
What is the SMILES notation for 5-N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-N-methylpyridine-3,5-diamine?
The canonical SMILES for 5-N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-N-methylpyridine-3,5-diamine is CNc1cncc(NCC2CN(C)CCN2C)c1.
What is the InChIKey of 5-N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-N-methylpyridine-3,5-diamine?
The InChIKey is MMHRUDGFNUXZGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5/c1-14-11-6-12(8-15-7-11)16-9-13-10-17(2)4-5-18(13)3/h6-8,13-14,16H,4-5,9-10H2,1-3H3.
What are the key properties of 5-N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-N-methylpyridine-3,5-diamine?
5-N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-N-methylpyridine-3,5-diamine has a molecular weight of 249.36 g/mol, XLogP of 0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-N-methylpyridine-3,5-diamine is sourced from PubChem (CID 104534729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).