3-chloro-5-(chloromethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine

C12H14Cl2N4 — CID 63025583

IUPAC3-chloro-5-(chloromethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine
SMILESCN(Cc1nccn1C)c1ncc(CCl)cc1Cl
InChIInChI=1S/C12H14Cl2N4/c1-17-4-3-15-11(17)8-18(2)12-10(14)5-9(6-13)7-16-12/h3-5,7H,6,8H2,1-2H3
InChIKeyDYARQMSAAIHTTG-UHFFFAOYSA-N
MW285.18 g/mol
LogP2.84
Rot. Bonds4

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

3-chloro-5-(chloromethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine (PubChem CID 63025583) has the molecular formula C12H14Cl2N4 and a molecular weight of 285.18 g/mol. Its IUPAC name is 3-chloro-5-(chloromethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name3-chloro-5-(chloromethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine
PubChem CID63025583
Molecular FormulaC12H14Cl2N4
Molecular Weight285.18 g/mol
Exact Mass284.06
IUPAC Name3-chloro-5-(chloromethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine
SMILESCN(Cc1nccn1C)c1ncc(CCl)cc1Cl
InChIInChI=1S/C12H14Cl2N4/c1-17-4-3-15-11(17)8-18(2)12-10(14)5-9(6-13)7-16-12/h3-5,7H,6,8H2,1-2H3
InChIKeyDYARQMSAAIHTTG-UHFFFAOYSA-N
XLogP2.84
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.18
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-5-(ethylaminomethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine
CID 63026181
5-chloro-6-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyridine-3-carboxylic acid
CID 63025804
3-bromo-5-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine
CID 114837069
5-(aminomethyl)-N,3-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine
CID 80635374
4-(chloromethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 63013979
[5-chloro-6-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 75396529
4-(chloromethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]isoquinolin-1-amine
CID 106769175
1-(6-chloro-3-pyridinyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]methanamine
CID 55150335
5-bromo-2-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine
CID 79073105
6-chloro-2-ethyl-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine
CID 80936276
6-chloro-5-ethyl-N,2-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine
CID 133431995
6-chloro-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyridine-3-carboxylic acid
CID 55183263

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(chloromethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine?
The IUPAC name of 3-chloro-5-(chloromethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine (CID 63025583) is 3-chloro-5-(chloromethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine.
What is the SMILES notation for 3-chloro-5-(chloromethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine?
The canonical SMILES for 3-chloro-5-(chloromethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine is CN(Cc1nccn1C)c1ncc(CCl)cc1Cl.
What is the InChIKey of 3-chloro-5-(chloromethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine?
The InChIKey is DYARQMSAAIHTTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N4/c1-17-4-3-15-11(17)8-18(2)12-10(14)5-9(6-13)7-16-12/h3-5,7H,6,8H2,1-2H3.
What are the key properties of 3-chloro-5-(chloromethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine?
3-chloro-5-(chloromethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine has a molecular weight of 285.18 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(chloromethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 63025583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).