5-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-6-(propylaminomethyl)pyridin-2-amine

C15H22ClN5 — CID 63024811

IUPAC5-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-6-(propylaminomethyl)pyridin-2-amine
SMILESCCCNCc1nc(N(C)Cc2nccn2C)ccc1Cl
InChIInChI=1S/C15H22ClN5/c1-4-7-17-10-13-12(16)5-6-14(19-13)21(3)11-15-18-8-9-20(15)2/h5-6,8-9,17H,4,7,10-11H2,1-3H3
InChIKeyXZFJCJUQMYBYGG-UHFFFAOYSA-N
MW307.83 g/mol
LogP2.60
Rot. Bonds7

About 5-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-6-(propylaminomethyl)pyridin-2-amine

5-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-6-(propylaminomethyl)pyridin-2-amine (PubChem CID 63024811) has the molecular formula C15H22ClN5 and a molecular weight of 307.83 g/mol. Its IUPAC name is 5-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-6-(propylaminomethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-6-(propylaminomethyl)pyridin-2-amine
PubChem CID63024811
Molecular FormulaC15H22ClN5
Molecular Weight307.83 g/mol
Exact Mass307.16
IUPAC Name5-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-6-(propylaminomethyl)pyridin-2-amine
SMILESCCCNCc1nc(N(C)Cc2nccn2C)ccc1Cl
InChIInChI=1S/C15H22ClN5/c1-4-7-17-10-13-12(16)5-6-14(19-13)21(3)11-15-18-8-9-20(15)2/h5-6,8-9,17H,4,7,10-11H2,1-3H3
InChIKeyXZFJCJUQMYBYGG-UHFFFAOYSA-N
XLogP2.60
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.83
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-[(1-methylimidazol-2-yl)methyl]-6-(propylaminomethyl)pyridazin-3-amine
CID 63025157
N-methyl-N-[(1-methylimidazol-2-yl)methyl]-5-(propylaminomethyl)pyrazin-2-amine
CID 107380056
N-methyl-N-[(1-methylimidazol-2-yl)methyl]-6-(propylaminomethyl)pyrazin-2-amine
CID 66451087
5-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-6-(propylaminomethyl)pyridin-2-amine
CID 79310791
5-chloro-N,N-bis(2-methylpropyl)-6-(propylaminomethyl)pyridin-2-amine
CID 63490142
6-chloro-2-ethyl-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine
CID 80936276
N-butyl-5-chloro-N-ethyl-6-(propylaminomethyl)pyridin-2-amine
CID 55054566
5-bromo-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-(propylaminomethyl)pyridin-2-amine
CID 63025670
N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]-N-propylpentane-1,5-diamine
CID 63024492
6-[(tert-butylamino)methyl]-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine
CID 63024642
N-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-(propylaminomethyl)cyclobutan-1-amine
CID 80998324
N-[2-(1-methylimidazol-2-yl)ethyl]propan-1-amine
CID 61214414

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-6-(propylaminomethyl)pyridin-2-amine?
The IUPAC name of 5-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-6-(propylaminomethyl)pyridin-2-amine (CID 63024811) is 5-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-6-(propylaminomethyl)pyridin-2-amine.
What is the SMILES notation for 5-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-6-(propylaminomethyl)pyridin-2-amine?
The canonical SMILES for 5-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-6-(propylaminomethyl)pyridin-2-amine is CCCNCc1nc(N(C)Cc2nccn2C)ccc1Cl.
What is the InChIKey of 5-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-6-(propylaminomethyl)pyridin-2-amine?
The InChIKey is XZFJCJUQMYBYGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN5/c1-4-7-17-10-13-12(16)5-6-14(19-13)21(3)11-15-18-8-9-20(15)2/h5-6,8-9,17H,4,7,10-11H2,1-3H3.
What are the key properties of 5-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-6-(propylaminomethyl)pyridin-2-amine?
5-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-6-(propylaminomethyl)pyridin-2-amine has a molecular weight of 307.83 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-6-(propylaminomethyl)pyridin-2-amine is sourced from PubChem (CID 63024811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).