N-[[5-chloro-6-(4,5-dimethylimidazol-1-yl)-3-pyridinyl]methyl]-2-methylpropan-2-amine

C15H21ClN4 — CID 62351844

IUPACN-[[5-chloro-6-(4,5-dimethylimidazol-1-yl)-3-pyridinyl]methyl]-2-methylpropan-2-amine
SMILESCc1ncn(-c2ncc(CNC(C)(C)C)cc2Cl)c1C
InChIInChI=1S/C15H21ClN4/c1-10-11(2)20(9-18-10)14-13(16)6-12(7-17-14)8-19-15(3,4)5/h6-7,9,19H,8H2,1-5H3
InChIKeyTWVQYOVGYSUZOA-UHFFFAOYSA-N
MW292.81 g/mol
LogP3.43
Rot. Bonds3

About N-[[5-chloro-6-(4,5-dimethylimidazol-1-yl)-3-pyridinyl]methyl]-2-methylpropan-2-amine

N-[[5-chloro-6-(4,5-dimethylimidazol-1-yl)-3-pyridinyl]methyl]-2-methylpropan-2-amine (PubChem CID 62351844) has the molecular formula C15H21ClN4 and a molecular weight of 292.81 g/mol. Its IUPAC name is N-[[5-chloro-6-(4,5-dimethylimidazol-1-yl)-3-pyridinyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[5-chloro-6-(4,5-dimethylimidazol-1-yl)-3-pyridinyl]methyl]-2-methylpropan-2-amine
PubChem CID62351844
Molecular FormulaC15H21ClN4
Molecular Weight292.81 g/mol
Exact Mass292.15
IUPAC NameN-[[5-chloro-6-(4,5-dimethylimidazol-1-yl)-3-pyridinyl]methyl]-2-methylpropan-2-amine
SMILESCc1ncn(-c2ncc(CNC(C)(C)C)cc2Cl)c1C
InChIInChI=1S/C15H21ClN4/c1-10-11(2)20(9-18-10)14-13(16)6-12(7-17-14)8-19-15(3,4)5/h6-7,9,19H,8H2,1-5H3
InChIKeyTWVQYOVGYSUZOA-UHFFFAOYSA-N
XLogP3.43
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.81
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-6-(4,5-dimethylimidazol-1-yl)-3-pyridinyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[5-chloro-6-(4,5-dimethylimidazol-1-yl)-3-pyridinyl]methyl]-2-methylpropan-2-amine (CID 62351844) is N-[[5-chloro-6-(4,5-dimethylimidazol-1-yl)-3-pyridinyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[5-chloro-6-(4,5-dimethylimidazol-1-yl)-3-pyridinyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[5-chloro-6-(4,5-dimethylimidazol-1-yl)-3-pyridinyl]methyl]-2-methylpropan-2-amine is Cc1ncn(-c2ncc(CNC(C)(C)C)cc2Cl)c1C.
What is the InChIKey of N-[[5-chloro-6-(4,5-dimethylimidazol-1-yl)-3-pyridinyl]methyl]-2-methylpropan-2-amine?
The InChIKey is TWVQYOVGYSUZOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN4/c1-10-11(2)20(9-18-10)14-13(16)6-12(7-17-14)8-19-15(3,4)5/h6-7,9,19H,8H2,1-5H3.
What are the key properties of N-[[5-chloro-6-(4,5-dimethylimidazol-1-yl)-3-pyridinyl]methyl]-2-methylpropan-2-amine?
N-[[5-chloro-6-(4,5-dimethylimidazol-1-yl)-3-pyridinyl]methyl]-2-methylpropan-2-amine has a molecular weight of 292.81 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-6-(4,5-dimethylimidazol-1-yl)-3-pyridinyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 62351844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).