6-chloro-2-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N-methylpyridine-2,4-diamine

C13H21ClN4 — CID 104924609

IUPAC6-chloro-2-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N-methylpyridine-2,4-diamine
SMILESCCN1CCCC1CN(C)c1cc(N)cc(Cl)n1
InChIInChI=1S/C13H21ClN4/c1-3-18-6-4-5-11(18)9-17(2)13-8-10(15)7-12(14)16-13/h7-8,11H,3-6,9H2,1-2H3,(H2,15,16)
InChIKeyREYXBOFDMOQXNQ-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.24
Rot. Bonds4

About 6-chloro-2-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N-methylpyridine-2,4-diamine

6-chloro-2-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N-methylpyridine-2,4-diamine (PubChem CID 104924609) has the molecular formula C13H21ClN4 and a molecular weight of 268.79 g/mol. Its IUPAC name is 6-chloro-2-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N-methylpyridine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N-methylpyridine-2,4-diamine
PubChem CID104924609
Molecular FormulaC13H21ClN4
Molecular Weight268.79 g/mol
Exact Mass268.15
IUPAC Name6-chloro-2-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N-methylpyridine-2,4-diamine
SMILESCCN1CCCC1CN(C)c1cc(N)cc(Cl)n1
InChIInChI=1S/C13H21ClN4/c1-3-18-6-4-5-11(18)9-17(2)13-8-10(15)7-12(14)16-13/h7-8,11H,3-6,9H2,1-2H3,(H2,15,16)
InChIKeyREYXBOFDMOQXNQ-UHFFFAOYSA-N
XLogP2.24
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyrazin-2-amine
CID 79315343
4-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-N,6-N-dimethylpyrimidine-2,4,6-triamine
CID 80849077
6-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-N-methylpyridine-2,6-diamine
CID 80651922
4-(aminomethyl)-5-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridin-2-amine
CID 114926731
4,6-dichloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-1,3,5-triazin-2-amine
CID 79315342
6-N-ethyl-4-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-N,2-dimethylpyrimidine-4,6-diamine
CID 80848598
3-chloro-5-(chloromethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridin-2-amine
CID 79319665
2-cyclopropyl-4-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine
CID 80959228
5-chloro-2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]pyridine-4-carboxylic acid
CID 114919785
2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]pyridine-4-carbothioamide
CID 79318536
2-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N-methyl-6-propoxypyridine-2,5-diamine
CID 79303922
[6-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-pyridinyl]methanol
CID 79319929

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N-methylpyridine-2,4-diamine?
The IUPAC name of 6-chloro-2-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N-methylpyridine-2,4-diamine (CID 104924609) is 6-chloro-2-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N-methylpyridine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N-methylpyridine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N-methylpyridine-2,4-diamine is CCN1CCCC1CN(C)c1cc(N)cc(Cl)n1.
What is the InChIKey of 6-chloro-2-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N-methylpyridine-2,4-diamine?
The InChIKey is REYXBOFDMOQXNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN4/c1-3-18-6-4-5-11(18)9-17(2)13-8-10(15)7-12(14)16-13/h7-8,11H,3-6,9H2,1-2H3,(H2,15,16).
What are the key properties of 6-chloro-2-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N-methylpyridine-2,4-diamine?
6-chloro-2-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N-methylpyridine-2,4-diamine has a molecular weight of 268.79 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N-methylpyridine-2,4-diamine is sourced from PubChem (CID 104924609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).