5-bromo-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-(propylaminomethyl)pyridin-2-amine

C15H22BrN5 — CID 63025670

IUPAC5-bromo-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-(propylaminomethyl)pyridin-2-amine
SMILESCCCNCc1cc(Br)cnc1N(C)Cc1nccn1C
InChIInChI=1S/C15H22BrN5/c1-4-5-17-9-12-8-13(16)10-19-15(12)21(3)11-14-18-6-7-20(14)2/h6-8,10,17H,4-5,9,11H2,1-3H3
InChIKeyRGHDWSFCDULBBO-UHFFFAOYSA-N
MW352.28 g/mol
LogP2.71
Rot. Bonds7

About 5-bromo-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-(propylaminomethyl)pyridin-2-amine

5-bromo-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-(propylaminomethyl)pyridin-2-amine (PubChem CID 63025670) has the molecular formula C15H22BrN5 and a molecular weight of 352.28 g/mol. Its IUPAC name is 5-bromo-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-(propylaminomethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-(propylaminomethyl)pyridin-2-amine
PubChem CID63025670
Molecular FormulaC15H22BrN5
Molecular Weight352.28 g/mol
Exact Mass351.11
IUPAC Name5-bromo-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-(propylaminomethyl)pyridin-2-amine
SMILESCCCNCc1cc(Br)cnc1N(C)Cc1nccn1C
InChIInChI=1S/C15H22BrN5/c1-4-5-17-9-12-8-13(16)10-19-15(12)21(3)11-14-18-6-7-20(14)2/h6-8,10,17H,4-5,9,11H2,1-3H3
InChIKeyRGHDWSFCDULBBO-UHFFFAOYSA-N
XLogP2.71
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.28
LogP ≤ 52.71
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

5-bromo-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-3-(propylaminomethyl)pyridin-2-amine
CID 63274618
5-bromo-N-methyl-N-propan-2-yl-3-(propylaminomethyl)pyridin-2-amine
CID 62285133
5-bromo-N,N-dipropyl-3-(propylaminomethyl)pyridin-2-amine
CID 62285283
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-bromo-N-methyl-N-(oxan-4-ylmethyl)-3-(propylaminomethyl)pyridin-2-amine
CID 63708114
5-bromo-N-[(4-bromophenyl)methyl]-3-(ethylaminomethyl)-N-methylpyridin-2-amine
CID 62288203
5-bromo-N-(1-methoxypropan-2-yl)-N-methyl-3-(propylaminomethyl)pyridin-2-amine
CID 55059305
N-methyl-N-[(1-methylimidazol-2-yl)methyl]-6-(propylaminomethyl)pyridazin-3-amine
CID 63025157
3-bromo-5-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine
CID 114837069
3-chloro-5-(ethylaminomethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine
CID 63026181
5-bromo-N-(1-cyclopropylethyl)-N-methyl-3-(propylaminomethyl)pyridin-2-amine
CID 55059195

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-(propylaminomethyl)pyridin-2-amine?
The IUPAC name of 5-bromo-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-(propylaminomethyl)pyridin-2-amine (CID 63025670) is 5-bromo-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-(propylaminomethyl)pyridin-2-amine.
What is the SMILES notation for 5-bromo-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-(propylaminomethyl)pyridin-2-amine?
The canonical SMILES for 5-bromo-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-(propylaminomethyl)pyridin-2-amine is CCCNCc1cc(Br)cnc1N(C)Cc1nccn1C.
What is the InChIKey of 5-bromo-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-(propylaminomethyl)pyridin-2-amine?
The InChIKey is RGHDWSFCDULBBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN5/c1-4-5-17-9-12-8-13(16)10-19-15(12)21(3)11-14-18-6-7-20(14)2/h6-8,10,17H,4-5,9,11H2,1-3H3.
What are the key properties of 5-bromo-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-(propylaminomethyl)pyridin-2-amine?
5-bromo-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-(propylaminomethyl)pyridin-2-amine has a molecular weight of 352.28 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-(propylaminomethyl)pyridin-2-amine is sourced from PubChem (CID 63025670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).